Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434522 | 0.92 | SLC22A12 (0.44) | SLC22A12IKBKETBK1ROS1RPS6KB1 | |
| SCHEMBL9434508 | 0.80 | GPBAR1 (0.43) | — | |
| SCHEMBL9434729 | 0.80 | MAOA (0.36) | KDM4ELMNACYP3A4CDK5KCNA5 | |
| SCHEMBL9434595 | 0.80 | MEN1 (0.38) | KDM4EKCNA5 | |
| SCHEMBL9433586 | 0.79 | MAOA (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19KCNA5 | |
| SCHEMBL9433807 | 0.79 | LIMK1 (0.41) | — | |
| SCHEMBL9433625 | 0.79 | KMT2A (0.35) | KDM4EGLSKCNA5 | |
| SCHEMBL9433611 | 0.77 | ALDH1A1 (0.36) | SLC22A12KDM4EHTTCYP1A2CYP3A4 | |
| SCHEMBL9433930 | 0.76 | GPBAR1 (0.36) | SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9434105 | 0.76 | RECQL (0.36) | KDM4ECYP1A2CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276150-A | Vasodilators, anticoagulants, calcium channel blockers | FUJIREBIO INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0400660-A1 | 1,4-dihydropyridine derivatives | FUJIREBIO INC. (JP) | 1990-12-05 | — | — | EP | disclosed |