Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL27353499 | 0.72 | CYP2A6 (0.39) | HSD17B1HSD17B2F10CYP2A6 | |
| SCHEMBL5727958 | 0.67 | HSD17B1 (0.38) | HSD17B1HSD17B2KDM1ACYP2A6 | |
| SCHEMBL6298604 | 0.67 | HSD17B1 (0.46) | HSD17B1HSD17B2CYP2A6 | |
| SCHEMBL6864541 | 0.67 | ESR2 (0.36) | HSD17B1HSD17B2F10KDM1ACYP2A6 | |
| SCHEMBL6804438 | 0.67 | HSD17B1 (0.59) | HSD17B1HSD17B2CYP2A6 | |
| SCHEMBL9193008 | 0.66 | CYP2A6 (0.50) | HSD17B1HSD17B2KDM1ACYP2A6 | |
| SCHEMBL5704914 | 0.66 | CA1 (0.44) | HSD17B1HSD17B2 | |
| SCHEMBL274108 | 0.66 | HSD17B1 (0.41) | HSD17B1HSD17B2CYP2A6 | |
| SCHEMBL20051 | 0.65 | — | — | |
| SCHEMBL6136925 | 0.64 | CA1 (0.47) | HSD17B1HSD17B2 |
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-7034029-B2 | 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands | WYETH (US) | 2006-04-25 | — | — | US | disclosed |