Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5526219 | 0.92 | ADORA1 (0.34) | TSHRRXFP1MAPK1CASP1CASP7 | |
| SCHEMBL5534568 | 0.82 | TSHR (0.36) | MCL1TSHRRXFP1MAPK1CASP1 | |
| SCHEMBL5534178 | 0.80 | TSHR (0.42) | TSHRRXFP1MAPK1CASP1CASP7 | |
| SCHEMBL5528384 | 0.77 | FPR1 (0.35) | TSHRRXFP1MAPK1CASP1CASP7 | |
| SCHEMBL4040796 | 0.71 | GRM5 (0.34) | MCL1ALDH1A1KMT2A | |
| SCHEMBL4038085 | 0.69 | RNASEH1 (0.41) | TSHRMAOBSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL3420229 | 0.69 | CYP1A2 (0.47) | TSHRMAPK1CASP1CASP7MAOA | |
| SCHEMBL2507511 | 0.69 | MAOA (0.48) | TSHRMAPK1CASP1CASP7MAOA | |
| SCHEMBL14572114 | 0.67 | KMO (0.39) | TSHRMAPK1CASP1CASP7MAOA | |
| SCHEMBL22856950 | 0.66 | TSHR (0.56) | TSHRMAPK1SMN1; SMN2ALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007064316-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |
| EP-1749011-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005118593-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-15 | — | — | WO | disclosed |