Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14768550 | 0.95 | ESR2 (0.70) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL29407557 | 0.90 | NR1H2 (0.69) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL1285596 | 0.90 | NR1H2 (0.69) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL1286143 | 0.89 | NR1H2 (0.67) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL29388691 | 0.89 | NR1H2 (0.67) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL22981583 | 0.89 | NR1H2 (0.67) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL13274356 | 0.89 | NR1H2 (0.71) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL4015963 | 0.89 | NR1H2 (0.67) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL29421745 | 0.89 | NR1H2 (0.67) | NR1H2ESR2MAPK1NPC1RAB9A | |
| SCHEMBL14812959 | 0.88 | NR1H2 (0.66) | NR1H2ESR2MAPK1NPC1RAB9A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10590135-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2020-03-17 | — | — | US | disclosed |
| US-20170355697-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2017-12-14 | — | — | US | disclosed |
| US-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-11-20 | — | — | US | disclosed |
| US-8802700-B2 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140155626-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-05 | — | — | US | disclosed |
| US-8741925-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-06-03 | — | — | US | disclosed |
| US-20140051724-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-20 | — | — | US | disclosed |
| US-8436016-B2 | Fused heterocyclic M1 receptor positive allosteric modulators | Merck, Sharp & Dohme, Corp. | 2013-05-07 | — | — | US | disclosed |
| US-20130011923-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| US-8324242-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110201607-A1 | FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck, Sharp & Dohme, Corp. | 2011-08-18 | — | — | US | disclosed |
| US-20090298876-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-03 | — | — | US | disclosed |
| US-20090246820-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-01 | — | — | 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 (8 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-20140343098-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NR1H2 127/4885ESR2 761/4885MAPK1 4329/4885 |
| US-20170355697-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | NR1H2 1105/4885ESR2 2435/4885MAPK1 2404/4885 |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NR1H2 127/4885ESR2 761/4885MAPK1 4329/4885 |
| US-20110201607-A1 | FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, OPRL1, OPRM1 | NR1H2 166/4885ESR2 297/4885MAPK1 1780/4885 |
| US-20090298876-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NR1H2 127/4885ESR2 761/4885MAPK1 4329/4885 |
| US-20140155626-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NR1H2 110/4885ESR2 820/4885MAPK1 4329/4885 |
| US-20140051724-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | NR1H2 127/4885ESR2 761/4885MAPK1 4329/4885 |
| US-10590135-B2 | Substituted bridged urea analogs as sirtuin modulators | SIRT1, SIRT3, SIRT2 | NR1H2 1105/4885ESR2 2435/4885MAPK1 2404/4885 |
“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.