Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1045946 | 1.00 | BRD4 (0.54) | BRD4CYP2C9CYP2C19CYP3A4MAPK1 | |
| SCHEMBL15241762 | 0.80 | BRD4 (0.49) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL7921128 | 0.80 | MET (0.46) | CYP2C9CYP2C19CYP3A4AXLITK | |
| SCHEMBL25971496 | 0.77 | BRD4 (0.47) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL1053943 | 0.77 | JAK2 (0.58) | BRD4CYP2C9CYP2C19CYP3A4MAPK1 | |
| SCHEMBL7912970 | 0.77 | BRD4 (0.47) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL1880862 | 0.77 | BRD4 (0.47) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL68662 | 0.77 | DYRK1A (0.58) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL11968454 | 0.77 | BRD4 (0.47) | BRD4MAPK1AXLCDK8TNIK | |
| SCHEMBL13199598 | 0.77 | CYP3A4 (0.44) | CYP2C9CYP2C19CYP3A4KITKDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-119431362-A | Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof | 中国医学科学院药物研究所 | 2025-02-14 | — | — | CN | disclosed |
| CN-118772152-A | Azacyclic compounds as AAK1 inhibitors | 艾立康药业股份有限公司 | 2024-10-15 | — | — | CN | disclosed |