Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL3363485 | 0.86 | CYP2A6 (0.58) | MAP4K4MAOAALDH1A1SCN9ACYP3A4 | |
| SCHEMBL31607702 | 0.82 | MAOA (0.47) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL31607686 | 0.81 | MAOA (0.45) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL31607651 | 0.81 | MAOA (0.45) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL31607595 | 0.81 | MAOA (0.45) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL31607685 | 0.81 | MAOA (0.45) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL2994341 | 0.79 | CNR2 (0.50) | MAOAALDH1A1SCN9ACYP3A4CYP2D6 | |
| SCHEMBL4445051 | 0.79 | TDO2 (0.44) | SCN9APTGES2NUDT1MEN1CYP2A6 | |
| SCHEMBL31607665 | 0.78 | MAOA (0.47) | MAP4K4MAOAALDH1A1CYP3A4CASP1 | |
| SCHEMBL28391909 | 0.78 | MAOA (0.47) | MAP4K4MAOAALDH1A1CYP3A4CASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |