Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29317272 | 0.78 | NOS3 (0.33) | — | |
| SCHEMBL15478295 | 0.76 | — | — | |
| SCHEMBL20470939 | 0.72 | KCNH2 (0.37) | GRM5 | |
| SCHEMBL20470744 | 0.71 | — | — | |
| SCHEMBL18478408 | 0.71 | CYP1A2 (0.41) | CYP1A2GRM5 | |
| SCHEMBL28148504 | 0.71 | GRM5 (0.47) | CYP1A2CYP2E1CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL8313298 | 0.69 | KMT2A (0.32) | — | |
| SCHEMBL1923494 | 0.69 | — | — | |
| SCHEMBL2143383 | 0.69 | — | — | |
| SCHEMBL31742514 | 0.69 | — | — |
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-2004048368-A2 | HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS | PHARMACIA CORPORATION (US) | 2004-06-10 | — | — | WO | disclosed |