Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20428404 | 0.88 | MEN1 (0.49) | ACHEALDH1A1HPGDRAB9AMEN1 | |
| SCHEMBL20420744 | 0.86 | ALDH1A1 (0.43) | ACHEALDH1A1HPGDRAB9AMEN1 | |
| SCHEMBL20420720 | 0.84 | NQO1 (0.49) | ACHEALDH1A1HPGDRAB9AMEN1 | |
| SCHEMBL20420753 | 0.84 | CA12 (0.48) | ALDH1A1HPGDRAB9AMEN1KMT2A | |
| SCHEMBL31005008 | 0.84 | NQO1 (0.49) | ACHEALDH1A1HPGDRAB9AMEN1 | |
| SCHEMBL20428330 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDRAB9AMEN1KMT2A | |
| SCHEMBL28952542 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDRAB9AMEN1KMT2A | |
| SCHEMBL30275961 | 0.83 | PTGS2 (0.44) | ALDH1A1HPGDRAB9AMEN1KMT2A | |
| SCHEMBL28952223 | 0.83 | PTGS2 (0.44) | ALDH1A1HPGDRAB9AMEN1KMT2A | |
| SCHEMBL28952221 | 0.83 | PTGS2 (0.44) | ALDH1A1HPGDRAB9AMEN1KMT2A |
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 |