Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | LOX | P28300 | 7/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 11/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19259658 | 0.86 | CYP2A6 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19274428 | 0.78 | LOXL2 (0.48) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19274690 | 0.74 | CYP2E1 (0.38) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL11281313 | 0.74 | MAOA (0.44) | CYP3A4CYP2C9MAOA | |
| SCHEMBL28741356 | 0.72 | MAOA (0.43) | CYP3A4CYP2C9MAOA | |
| SCHEMBL19274370 | 0.71 | CYP2E1 (0.33) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19274429 | 0.68 | LOX (0.31) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL23569386 | 0.67 | MAOA (0.46) | CYP3A4TAAR1MAOA | |
| SCHEMBL2690207 | 0.67 | CYP2E1 (1.00) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL20048800 | 0.67 | MAOA (0.46) | CYP3A4TAAR1MAOA |
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-2017141049-A1 | METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2017-08-24 | — | — | WO | disclosed |