Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20420775 | 0.86 | PTGES (0.53) | KMT2AABCG2ALDH1A1CYP3A4HPGD | |
| SCHEMBL20420788 | 0.81 | ALDH1A1 (0.61) | KMT2AABCG2ALDH1A1CYP3A4HPGD | |
| SCHEMBL20420777 | 0.79 | CA9 (0.54) | NQO1KMT2AABCG2CYP3A4HPGD | |
| SCHEMBL20420716 | 0.78 | ALDH1A1 (0.52) | KMT2AALDH1A1CYP3A4HPGDMAPT | |
| SCHEMBL20420761 | 0.77 | MAOB (0.58) | NQO1KMT2AABCG2ALDH1A1CYP3A4 | |
| SCHEMBL20420727 | 0.74 | TNKS (0.58) | NQO1KMT2AABCG2CYP3A4HPGD | |
| SCHEMBL20428325 | 0.73 | HPGD (0.61) | NQO1KMT2AABCG2ALDH1A1CYP3A4 | |
| SCHEMBL20420713 | 0.72 | PTGS2 (0.46) | — | |
| SCHEMBL20420805 | 0.72 | ALDH1A1 (0.51) | KMT2AABCG2ALDH1A1CYP3A4HPGD | |
| SCHEMBL20420769 | 0.72 | GABRP (0.60) | NQO1ALDH1A1SMN1; SMN2MAPK1CYP1A2 |
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-3354648-A1 | 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) | 2018-08-01 | — | — | EP | disclosed |