Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29392628 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C19CXCR2 | |
| SCHEMBL20118 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C19CXCR2 | |
| SCHEMBL7561771 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19CXCR2 | |
| SCHEMBL16146620 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL16146190 | 0.79 | NUDT1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19CDK1 | |
| SCHEMBL16145767 | 0.79 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL29612168 | 0.74 | HTT (0.70) | CYP1A2CYP3A4CYP2D6HTTCDK2 | |
| SCHEMBL150047 | 0.74 | HTT (0.70) | CYP1A2CYP3A4CYP2D6HTTCDK2 | |
| SCHEMBL23133241 | 0.73 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HTT | |
| SCHEMBL27616663 | 0.72 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HTT |
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-2002022824-A2 | ASHBYA GOSSYPII GENES CODING FOR PROTEINS INVOLVED IN MEMBRANE TRANSPORT | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-21 | — | — | WO | disclosed |