Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23367918 | 0.88 | RAB9A (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2662446 | 0.83 | ABL1 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL25872937 | 0.83 | CYP3A4 (0.44) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL21620289 | 0.83 | ABL1 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL25872952 | 0.81 | CYP2E1 (0.42) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL25872960 | 0.79 | CYP2E1 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7453408 | 0.79 | CYP3A4 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL20156028 | 0.79 | CYP3A4 (0.53) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL16549550 | 0.79 | CYP3A4 (0.50) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8198560 | 0.79 | CYP3A4 (0.60) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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-3395795-B1 | MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) | 2023-07-19 | — | — | EP | disclosed |