Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4784939 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2 | |
| SCHEMBL30256972 | 0.75 | SIGMAR1 (0.36) | LMNAKDM1A | |
| SCHEMBL7742519 | 0.73 | HTR2A (0.36) | CYP3A4CYP2C9MAPK1LMNA | |
| SCHEMBL29732990 | 0.72 | FNTA (0.36) | — | |
| SCHEMBL3601522 | 0.72 | MEN1 (0.36) | LMNA | |
| SCHEMBL5097175 | 0.70 | OPRM1 (0.48) | CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2 | |
| SCHEMBL3313904 | 0.69 | OPRM1 (0.42) | CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2 | |
| SCHEMBL3601520 | 0.68 | HTR2A (0.33) | CYP3A4LMNA | |
| SCHEMBL835707 | 0.67 | MTNR1A (0.39) | CYP3A4LMNA | |
| SCHEMBL4510570 | 0.67 | HTR2A (0.36) | CYP3A4LMNA |
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-2008071765-A1 | PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |