Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2184068 | 0.79 | CYP2E1 (0.54) | CYP2E1CYP2A6 | |
| SCHEMBL5366202 | 0.77 | NPC1 (0.44) | CYP2E1CYP2A6 | |
| Hydrochloric Acid SCHEMBL17398081 | 0.76 | NPC1 (0.43) | CYP2E1CYP2A6 | |
| SCHEMBL27913616 | 0.76 | EGLN2 (0.32) | CYP2E1CYP2A6GRM5 | |
| SCHEMBL27648782 | 0.76 | CPB1 (0.34) | CYP2E1CYP2A6GRM5 | |
| SCHEMBL2879045 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL28884845 | 0.73 | HTR2A (0.47) | — | |
| SCHEMBL29187528 | 0.70 | HRH1 (0.38) | GRM5 | |
| SCHEMBL30513257 | 0.70 | CYP2A6 (0.65) | CYP2E1CYP2A6 | |
| SCHEMBL17632340 | 0.70 | CYP2A6 (0.65) | CYP2E1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110913855-A | Imidazole-containing ALK2 kinase inhibitors | 拜奥克里斯特制药公司 | 2020-03-24 | — | — | CN | disclosed |