Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8410463 | 0.82 | PRSS1 (0.54) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL1363337 | 0.80 | PRSS1 (0.52) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL31484336 | 0.80 | PRSS1 (0.52) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL12824890 | 0.80 | PRSS1 (0.64) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL8261015 | 0.79 | MAOA (0.46) | CES2CES1SMN1; SMN2MAOAMAOB | |
| SCHEMBL8860069 | 0.79 | MAPT (0.61) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL15371564 | 0.79 | HDAC1 (0.53) | CES2CES1HTTALDH1A1NPC1 | |
| SCHEMBL11872212 | 0.78 | PRSS1 (0.50) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL5376758 | 0.78 | CES2 (0.55) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL29503054 | 0.78 | CES2 (0.55) | PRSS1PRSS2PRSS3CES2CES1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170107205-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-20 | — | — | US | disclosed |
| US-9522145-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-20 | — | — | US | disclosed |
| US-20160143898-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-26 | — | — | US | disclosed |
| US-9216969-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-12-22 | — | — | US | disclosed |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-07-09 | — | — | US | disclosed |
| US-9012473-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-21 | — | — | US | disclosed |
| US-8993600-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-31 | — | — | US | disclosed |
| US-20150065500-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-05 | — | — | US | disclosed |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-24 | — | — | US | disclosed |
| US-8741933-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-03 | — | — | US | disclosed |
| US-20130237568-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-09-12 | — | — | US | disclosed |
| US-20130237569-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-09-12 | — | — | US | disclosed |
| US-8507524-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-13 | — | — | US | disclosed |
| US-8461156-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-11 | — | — | US | disclosed |
| US-20120322798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-20 | — | — | US | disclosed |
| US-8318733-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120232059-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-09-13 | — | — | US | disclosed |
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |
| US-20110312958-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-22 | — | — | US | disclosed |
| US-20110172229-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170107205-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 3026/4885PRSS2 3399/4885PRSS3 2682/4885 |
| US-20130237569-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2571/4885PRSS2 3289/4885PRSS3 2472/4885 |
| US-20160143898-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20120322798-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | PRSS1 2571/4885PRSS2 3289/4885PRSS3 2472/4885 |
| US-20150065500-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20110172229-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20120232059-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20110312958-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
| US-20130237568-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PRSS1 2838/4885PRSS2 3302/4885PRSS3 2595/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.