Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581709 | 0.91 | CYP1B1 (0.59) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL21598051 | 0.86 | CYP1A2 (0.54) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| Cyanide SCHEMBL27937317 | 0.86 | CYP1B1 (0.55) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL17525790 | 0.83 | CYP1B1 (0.56) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL19406784 | 0.83 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL23439163 | 0.83 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL383479 | 0.83 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL30657544 | 0.83 | CYP1B1 (0.56) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL383480 | 0.83 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE | |
| SCHEMBL19398815 | 0.83 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108963-A | Compound and preparation method and application thereof | 上海启讯医药科技有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-115108963-A | Compound and preparation method and application thereof | 上海启讯医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-115108963-A | Compound and preparation method and application thereof | 上海启讯医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |