Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL7409608 | 0.84 | HTT (0.62) | ALDH1A1SMN1; SMN2HTTLMNARAB9A | |
| SCHEMBL5094443 | 0.70 | MAPT (0.50) | ALDH1A1HTTLMNARAB9ANPC1 | |
| SCHEMBL10616161 | 0.68 | POLB (0.44) | ALDH1A1SMN1; SMN2HTTLMNAHPGD | |
| SCHEMBL15775229 | 0.66 | KDM4E (0.57) | ALDH1A1SMN1; SMN2HTTLMNARAB9A | |
| SCHEMBL11123393 | 0.64 | RXFP1 (0.59) | ALDH1A1SMN1; SMN2HTTLMNARAB9A | |
| SCHEMBL15775343 | 0.63 | LMNA (0.58) | ALDH1A1SMN1; SMN2LMNANPC1KDM4E | |
| SCHEMBL9767723 | 0.62 | NPC1 (0.76) | SMN1; SMN2LMNARAB9ANPC1MAPT | |
| Hexamethylbenzene SCHEMBL27628945 | 0.62 | MAP4K4 (0.57) | ALDH1A1LMNAKDM4EMAP4K4CYP2C19 | |
| SCHEMBL10939703 | 0.62 | NPC1 (0.76) | SMN1; SMN2LMNARAB9ANPC1MAPT | |
| SCHEMBL611657 | 0.62 | NPC1 (0.76) | SMN1; SMN2LMNARAB9ANPC1MAPT |
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-2002000651-A2 | FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |