Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.52 |
| ▸ | KIT | P10721 | 2/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.52 |
| ▸ | RIPK3 | Q9Y572 | 2/20 | 0.52 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.52 |
| ▸ | GAK | O14976 | 1/20 | 0.52 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.52 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.52 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL588581 | 1.00 | KDR (0.61) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30453584 | 0.90 | KDR (0.75) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL588895 | 0.90 | KDR (0.75) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31672478 | 0.90 | KDR (0.51) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10151205 | 0.90 | KDR (0.51) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL590451 | 0.89 | KDR (0.74) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30452580 | 0.89 | KDR (0.66) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL589388 | 0.89 | KDR (0.66) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL590433 | 0.88 | KDR (0.56) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL589215 | 0.88 | KDR (0.56) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 |
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-113181362-B | Medicament for preventing and/or treating amyotrophic lateral sclerosis | 国立大学法人京都大学 | 2023-06-13 | — | — | CN | disclosed |