Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | AVPR1B | P47901 | 15/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6581313 | 0.99 | TSHR (0.58) | TSHRAVPR1BNR1H2NR1H3MAPT | |
| Hydrochloric Acid SCHEMBL6583345 | 0.95 | TSHR (0.58) | TSHRAVPR1BNR1H2NR1H3MAPT | |
| Hydrochloric Acid SCHEMBL6578594 | 0.91 | AVPR1B (0.49) | TSHRAVPR1BNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL6580828 | 0.89 | AVPR1B (0.47) | TSHRAVPR1BNR1H2NR1H3HSD17B2 | |
| Hydrochloric Acid SCHEMBL6578482 | 0.88 | NR1H2 (0.49) | TSHRAVPR1BNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL6581143 | 0.85 | NR1H2 (0.45) | AVPR1BNR1H2NR1H3MAPT | |
| SCHEMBL6580598 | 0.84 | NR1H3 (0.47) | TSHRAVPR1BNR1H2NR1H3HSD17B2 | |
| Hydrochloric Acid SCHEMBL6581513 | 0.83 | NR1H3 (0.46) | TSHRAVPR1BNR1H2NR1H3HSD17B2 | |
| SCHEMBL7812160 | 0.83 | TSHR (0.62) | TSHRAVPR1BMAPT | |
| SCHEMBL6578223 | 0.83 | NR1H2 (0.47) | AVPR1BNR1H2NR1H3HSD17B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |