Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | AVPR1B | P47901 | 10/20 | 0.43 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 SCHEMBL6584058 | 0.99 | NR1H2 (0.47) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6582432 | 0.95 | NR1H3 (0.52) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6581026 | 0.93 | NR1H3 (0.45) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6578606 | 0.89 | NR1H3 (0.50) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6581120 | 0.89 | NR1H3 (0.47) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6582636 | 0.89 | NR1H3 (0.47) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| SCHEMBL6578579 | 0.87 | NR1H3 (0.49) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6581321 | 0.86 | NR1H3 (0.48) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6580895 | 0.86 | NR1H3 (0.59) | NR1H2NR1H3AVPR1BACP1HTR7 | |
| Hydrochloric Acid SCHEMBL6578746 | 0.86 | NR1H2 (0.44) | NR1H2NR1H3AVPR1BACP1TNK2 |
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 6 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 | claimed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | claimed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | claimed |
| 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 |