Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL165745 | 0.77 | L3MBTL1 (0.46) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL29601221 | 0.77 | L3MBTL1 (0.46) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL29367545 | 0.77 | BACE1 (0.50) | PDPK1BACE1ALDH1A1HSD17B10HIF1A | |
| SCHEMBL2262027 | 0.77 | BACE1 (0.50) | PDPK1BACE1ALDH1A1HSD17B10HIF1A | |
| SCHEMBL30064841 | 0.74 | KDM4E (0.44) | PDPK1BACE1ALDH1A1HSD17B10HIF1A | |
| SCHEMBL1133961 | 0.74 | TRPM4 (0.45) | PDPK1BACE1ALDH1A1HSD17B10HIF1A | |
| SCHEMBL374938 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A | |
| SCHEMBL30544379 | 0.74 | L3MBTL1 (0.50) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| SCHEMBL2595823 | 0.74 | BACE1 (0.52) | PDPK1BACE1ALDH1A1HSD17B10HIF1A | |
| SCHEMBL17844918 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HIF1ACYP1B1HTR2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3012250-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-11-08 | — | — | EP | disclosed |
| US-9522145-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-20 | — | — | 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-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-24 | — | — | US | disclosed |
| US-8722704-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-13 | — | — | US | disclosed |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-07 | — | — | US | disclosed |
| US-8507524-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-13 | — | — | US | disclosed |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-06-04 | — | — | US | disclosed |
| EP-2033654-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus | Bristol-Myers Squibb Company (US) | 2009-03-11 | — | — | EP | 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 (4 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-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PDPK1 2698/4885BACE1 2497/4885ALDH1A1 1836/4885 |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | PDPK1 2682/4885BACE1 2432/4885ALDH1A1 1985/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | PDPK1 2682/4885BACE1 2432/4885ALDH1A1 1985/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | PDPK1 2976/4885BACE1 2256/4885ALDH1A1 1786/4885 |
“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.