Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | BCR | P11274 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1310724 | 0.88 | ABL1 (0.60) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Pyridine SCHEMBL30984530 | 0.84 | CYP3A4 (0.70) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Bromobenzene SCHEMBL9395084 | 0.80 | ABL1 (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Benzene SCHEMBL28113439 | 0.80 | CYP3A4 (0.61) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL19219074 | 0.78 | CYP17A1 (0.69) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL28811791 | 0.78 | ABL1 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Pyridine SCHEMBL28096803 | 0.78 | CYP3A4 (0.59) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3604280 | 0.78 | CYP17A1 (0.68) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL17618191 | 0.77 | ABL1 (0.48) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL338810 | 0.77 | LTA4H (0.70) | 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 |
|---|---|---|---|---|---|---|---|
| CN-112920177-A | Aromatic monoamine compound, cover material, and light-emitting element | 东丽先端材料研究开发（中国）有限公司 | 2021-06-08 | — | — | CN | disclosed |