Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5532745 | 0.92 | MCL1 (0.35) | ADORA1TSHRRXFP1MAOAMAOB | |
| SCHEMBL5534568 | 0.80 | TSHR (0.36) | ADORA1TSHRRXFP1ADORA3ALDH1A1 | |
| SCHEMBL5534178 | 0.78 | TSHR (0.42) | TSHRRXFP1ALDH1A1MAPK1CASP1 | |
| SCHEMBL5528384 | 0.75 | FPR1 (0.35) | ADORA1TSHRRXFP1PKMADORA3 | |
| SCHEMBL4040796 | 0.69 | GRM5 (0.34) | ALDH1A1 | |
| SCHEMBL3420229 | 0.68 | CYP1A2 (0.47) | TSHRMAOAMAOBPKMALDH1A1 | |
| SCHEMBL2507511 | 0.67 | MAOA (0.48) | TSHRMAOAMAOBPKMALDH1A1 | |
| SCHEMBL2553621 | 0.67 | PKM (0.44) | TSHRMAOAMAOBPKMALDH1A1 | |
| SCHEMBL4038085 | 0.66 | RNASEH1 (0.41) | TSHRMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL14572114 | 0.65 | KMO (0.39) | TSHRMAOAMAOBPKMALDH1A1 |
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 |