Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7838919 | 0.92 | CYP2A6 (0.54) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL20400573 | 0.85 | CYP1A2 (0.50) | CYP2A6CYP1A2 | |
| SCHEMBL3979789 | 0.79 | — | — | |
| SCHEMBL6038298 | 0.74 | — | — | |
| SCHEMBL7660152 | 0.72 | CYP2A6 (0.45) | CYP2A6CYP1A2 | |
| SCHEMBL29411939 | 0.70 | CYP2A6 (1.00) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL22225 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL23306 | 0.70 | — | — | |
| SCHEMBL10847 | 0.70 | CYP2A6 (1.00) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL1889561 | 0.69 | CRBN (0.39) | — |
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-1130016-A1 | THIOCARBAMIC ACID DERIVATIVES | HOKURIKU SEIYAKU CO., LTD. (JP) | 2001-09-05 | — | — | EP | disclosed |