Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15819648 | 0.81 | PDE10A (0.38) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL11126054 | 0.75 | PDE10A (0.49) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL15819515 | 0.70 | PDPK1 (0.39) | CYP2A6MEN1KMT2ASRCZAP70 | |
| SCHEMBL15066583 | 0.70 | CYP2A6 (0.32) | CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL2074497 | 0.69 | PDE10A (0.42) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL23367876 | 0.69 | ALDH1A1 (0.40) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL21143719 | 0.68 | CYP3A4 (0.47) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL23367838 | 0.68 | RAB9A (0.56) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL5324014 | 0.68 | PDE10A (0.45) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL8227195 | 0.68 | CYP3A4 (0.44) | PDE10ACYP3A4CYP2E1CYP2A6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7973037-B2 | Cathepsin cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |