Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 13/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.64 |
| ▸ | CYP2E1 | P05181 | 12/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 10/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.64 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.33 |
| ▸ | AOC1 | P19801 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7253747 | 0.91 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL7254285 | 0.88 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL23789539 | 0.79 | CYP2A6 (0.97) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| Hydrochloric Acid SCHEMBL23781606 | 0.78 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL7257140 | 0.76 | CYP1A2 (0.58) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL23781620 | 0.72 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL7259055 | 0.72 | RPS6KA3 (0.43) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL7259101 | 0.72 | CYP1A2 (0.40) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL15972243 | 0.71 | SNCA (0.35) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 | |
| SCHEMBL1369814 | 0.71 | CYP2E1 (0.47) | CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2 |
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-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |