Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 5/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 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 SCHEMBL6578562 | 0.99 | NR1H2 (0.46) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL6578722 | 0.89 | S1PR1 (0.50) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL6580524 | 0.86 | NR1H2 (0.58) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| SCHEMBL6580914 | 0.86 | NR1H2 (0.46) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| SCHEMBL6578288 | 0.85 | S1PR1 (0.47) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL6584137 | 0.85 | NR1H2 (0.46) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| SCHEMBL27457299 | 0.84 | NPC1 (0.57) | NR1H2NR1H3NPC1RAB9AATAD2 | |
| Hydrochloric Acid SCHEMBL6578720 | 0.84 | S1PR1 (0.46) | NR1H2NR1H3S1PR1ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL6581076 | 0.83 | NPC1 (0.56) | NR1H2NR1H3NPC1RAB9AATAD2 | |
| Hydrochloric Acid SCHEMBL6581154 | 0.81 | NR1H2 (0.45) | NR1H2NR1H3S1PR1ADORA2AADORA1 |
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 |