Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.46 |
| ▸ | CASP1 | P29466 | 10/20 | 0.46 |
| ▸ | CASP7 | P55210 | 10/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | USP2 | O75604 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | GLA | P06280 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7696545 | 0.94 | TSHR (0.45) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7696148 | 0.93 | CACNA2D1 (0.46) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7694476 | 0.77 | ALDH1A1 (0.45) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7690773 | 0.76 | HSD17B10 (0.43) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7695534 | 0.76 | ACP1 (0.45) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7695125 | 0.75 | KDM4E (0.51) | HSD17B10GAAPARP1HIF1AKDM4E | |
| SCHEMBL7695066 | 0.74 | MERTK (0.51) | HSD17B10ALDH1A1GLATP53GAA | |
| SCHEMBL7688448 | 0.73 | MKNK1 (0.51) | HSD17B10ALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL7693220 | 0.72 | CACNA2D1 (0.46) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 | |
| SCHEMBL7688894 | 0.72 | SLC2A1 (0.50) | CYP1A2CASP1CASP7HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002076954-A1 | COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-03 | — | — | WO | disclosed |