Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | YWHAG | P61981 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL4815360 | 0.93 | PDE10A (0.47) | PDE10AALDH1A1SMN1; SMN2KDM4ETLR9 | |
| SCHEMBL4811010 | 0.85 | KMT2A (0.44) | PDE10AALDH1A1SMN1; SMN2KDM4ETLR9 | |
| SCHEMBL4815144 | 0.82 | PPARG (0.41) | PDE10AALDH1A1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL4811052 | 0.80 | CPT1A (0.39) | F10PPARG | |
| SCHEMBL4812552 | 0.79 | PDE10A (0.42) | PDE10AALDH1A1KDM4ETLR9TLR8 | |
| SCHEMBL4808748 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EHPGDF10 | |
| SCHEMBL4811744 | 0.77 | KMT2A (0.44) | PDE10AALDH1A1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL4811451 | 0.77 | SLC22A12 (0.41) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL4813419 | 0.77 | F2 (0.43) | ALDH1A1KDM4EHPGDF10ROCK2 | |
| SCHEMBL5258852 | 0.77 | F10 (0.33) | PDE10ASMN1; SMN2KMT2AF10ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740538-A4 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2007-12-19 | — | — | EP | claimed |
| EP-1740538-A2 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-01-10 | — | — | EP | claimed |
| WO-2005099709-A2 | BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-27 | — | — | WO | claimed |