Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL16735626 | 0.90 | PDK1 (0.46) | METCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL1476946 | 0.85 | SMN1; SMN2 (0.61) | METCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16735638 | 0.83 | MAOB (0.47) | SMN1; SMN2NPC1RAB9ATP53PDK1 | |
| SCHEMBL16735621 | 0.83 | TP53 (0.43) | METCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL16735575 | 0.79 | HSP90AA1 (0.58) | ALDH1A1PDK1HPGDKMT2A | |
| SCHEMBL16735648 | 0.79 | HSP90AA1 (0.43) | METRAB9AHTTTP53ALDH1A1 | |
| SCHEMBL2143835 | 0.78 | ALDH1A1 (0.58) | SMN1; SMN2NPC1RAB9AHTTTP53 | |
| SCHEMBL16735606 | 0.77 | PDK1 (0.47) | RAB9ATP53PDK1MCL1 | |
| SCHEMBL28336465 | 0.76 | MCL1 (0.66) | CYP3A4SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL19143459 | 0.76 | HTT (0.45) | CYP3A4CYP2C9CYP2B6CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2519505-B1 | TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF | POLICHEM SA (LU) | 2015-05-27 | — | — | EP | claimed |