Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
| ▸ | PRMT1 | Q99873 | 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 | |
|---|---|---|---|---|
| SCHEMBL7357702 | 0.96 | ALDH1A1 (0.40) | ALDH1A1SRD5A2PRMT1 | |
| SCHEMBL16189948 | 0.86 | — | — | |
| SCHEMBL7288250 | 0.82 | ALDH1A1 (0.40) | ALDH1A1PRMT1 | |
| SCHEMBL4103157 | 0.80 | ALDH1A1 (0.39) | ALDH1A1PRMT1 | |
| SCHEMBL22036847 | 0.78 | CHRM2 (0.38) | ALDH1A1PRMT1 | |
| SCHEMBL2436684 | 0.77 | ALDH1A1 (0.37) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31283258 | 0.75 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL24424090 | 0.74 | PRMT1 (0.37) | ALDH1A1SRD5A2PRMT1 | |
| SCHEMBL24203805 | 0.74 | ALDH1A1 (0.35) | ALDH1A1 | |
| Ethylene SCHEMBL7384559 | 0.74 | — | — |
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-1994025461-A1 | CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1994-11-10 | — | — | WO | disclosed |