Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032771 | 0.78 | NFE2L2 (0.45) | CYP1A2CYP2D6HSD17B10CES2CES1 | |
| SCHEMBL5566136 | 0.75 | AKR1C3 (0.54) | CYP2C9AKR1C3PARP1PARP15PARP10 | |
| SCHEMBL19853768 | 0.74 | ATM (0.41) | CYP1A2CYP2D6HSD17B10CES2CES1 | |
| SCHEMBL20674777 | 0.74 | AKT1 (0.42) | CYP2C9CYP1A2CYP2D6HSD17B10CES2 | |
| SCHEMBL2791186 | 0.74 | NFE2L2 (0.59) | CYP2C9CYP1A2CYP2D6HSD17B10AKR1C3 | |
| SCHEMBL8104632 | 0.74 | NFE2L2 (0.59) | CYP2C9CYP1A2CYP2D6HSD17B10AKR1C3 | |
| SCHEMBL22649497 | 0.73 | CES2 (0.49) | CYP1A2CYP2D6HSD17B10CES2CES1 | |
| SCHEMBL3386465 | 0.72 | AKR1C3 (0.50) | CYP2C9AKR1C3PARP1PARP15PARP10 | |
| SCHEMBL12657652 | 0.72 | AKR1C3 (0.50) | CYP2C9AKR1C3PARP1PARP15PARP10 | |
| SCHEMBL20860670 | 0.71 | CYP2C9 (0.34) | CYP2C9AKR1C3 |
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-3632899-A1 | ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS | RaQualia Pharma Inc. (JP) | 2020-04-08 | — | — | EP | disclosed |