Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22167671 | 0.80 | USP2 (0.45) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL22167684 | 0.78 | OPRM1 (0.39) | KMT2AMEN1MAPK1HSD17B10TSHR | |
| SCHEMBL18270390 | 0.76 | CYP2C9 (0.56) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL15447123 | 0.74 | CYP2D6 (0.60) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL2081988 | 0.73 | KMT2A (0.54) | CYP2C9CYP1A2CYP2D6KMT2AMEN1 | |
| SCHEMBL15451913 | 0.72 | CYP1A2 (0.53) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL17616420 | 0.71 | SMN1; SMN2 (0.44) | CYP1A2CYP2D6CYP3A4CYP2C19KMT2A | |
| SCHEMBL17173176 | 0.70 | CYP2C9 (0.50) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL17173175 | 0.70 | CYP2C9 (0.50) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL3632294 | 0.70 | CYP1A2 (0.56) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |