Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 4/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | ACP1 | P24666 | 1/20 | 0.42 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.41 |
| ▸ | AVPR1B | P47901 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 SCHEMBL6581321 | 0.99 | NR1H3 (0.48) | NR1H3NR1H2HTR7ACP1TNK2 | |
| SCHEMBL6580598 | 0.91 | NR1H3 (0.47) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6581513 | 0.90 | NR1H3 (0.46) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6582636 | 0.89 | NR1H3 (0.47) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6580895 | 0.88 | NR1H3 (0.59) | NR1H3NR1H2HTR7ACP1TNK2 | |
| SCHEMBL6578223 | 0.87 | NR1H2 (0.47) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6584058 | 0.86 | NR1H2 (0.47) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6578519 | 0.86 | NR1H3 (0.60) | NR1H3NR1H2TNK2AVPR1BALDH1A1 | |
| Hydrochloric Acid SCHEMBL6581120 | 0.86 | NR1H3 (0.47) | NR1H3NR1H2HTR7ACP1TNK2 | |
| Hydrochloric Acid SCHEMBL6584219 | 0.85 | NR1H3 (0.46) | NR1H3NR1H2HTR7ACP1TNK2 |
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 |