Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14830565 | 0.85 | CYP17A1 (0.50) | CYP17A1CYP1A2HTR7SMN1; SMN2ALDH1A1 | |
| SCHEMBL14831662 | 0.75 | S1PR1 (0.42) | CYP17A1SMN1; SMN2ALDH1A1NPC1TP53 | |
| SCHEMBL14831616 | 0.75 | CA4 (0.39) | CYP17A1SMN1; SMN2ALDH1A1NPC1TP53 | |
| SCHEMBL14833491 | 0.72 | CYP17A1 (0.48) | CYP17A1CYP1A2MAPK14HTR2AHTR2C | |
| SCHEMBL14830686 | 0.71 | CYP17A1 (0.65) | CYP17A1CYP1A2MAPK14HTR7CYP3A4 | |
| SCHEMBL14830642 | 0.71 | CYP17A1 (0.49) | CYP17A1CYP1A2HTR7SMN1; SMN2PTGS2 | |
| SCHEMBL14831009 | 0.71 | HTR7 (0.46) | HTR7SMN1; SMN2ALDH1A1ADORA2ANPC1 | |
| SCHEMBL14833954 | 0.70 | CYP17A1 (1.00) | CYP17A1CYP1A2MAPK14MAPK9CSNK1D | |
| SCHEMBL14830931 | 0.70 | CYP17A1 (0.74) | CYP17A1CYP1A2MAPK14NPC1RAB9A | |
| SCHEMBL14830895 | 0.70 | CYP17A1 (0.82) | CYP17A1CYP1A2MAPK14ALDH1A1CYP3A4 |
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-9598436-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-21 | — | — | US | disclosed |
| US-9598436-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-21 | — | — | US | disclosed |
| US-9598436-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-21 | — | — | US | disclosed |
| EP-2760870-B1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-05-04 | — | — | EP | disclosed |
| EP-2760870-B1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-05-04 | — | — | EP | disclosed |
| US-20160096847-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-04-07 | — | — | US | disclosed |
| US-20160096847-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-04-07 | — | — | US | disclosed |
| US-20160096847-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-04-07 | — | — | US | disclosed |
| US-9242967-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-26 | — | — | US | disclosed |
| US-9242967-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150126529-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2015-05-07 | — | — | US | disclosed |
| US-8969586-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969586-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-03 | — | — | US | disclosed |
| US-8969586-B2 | Substituted bicyclic heteroaryl compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140235647-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2014-08-21 | — | — | US | disclosed |
| US-20140235647-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2014-08-21 | — | — | US | disclosed |
| US-20140235647-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2014-08-21 | — | — | US | disclosed |
| EP-2760870-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | Bristol-Myers Squibb Company (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049263-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-04 | — | — | WO | disclosed |
| WO-2013049263-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-04 | — | — | WO | 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 (3 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-20160096847-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | CYP1A2, CYP3A43, CYP4A22 | CYP17A1 35/4885CYP1A2 1/4885MAPK14 2758/4885 |
| US-20140235647-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | CYP4A22, CYP1A2, CYP2C18 | CYP17A1 23/4885CYP1A2 2/4885MAPK14 2459/4885 |
| US-20150126529-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS | CYP4A22, CYP1A2, CYP2C18 | CYP17A1 23/4885CYP1A2 2/4885MAPK14 2459/4885 |
“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.