Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 15/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581092 | 0.96 | NR1H2 (0.45) | AVPR1BHDAC1HDAC8NR1H2NR1H3 | |
| SCHEMBL6578727 | 0.87 | NR1H2 (0.43) | AVPR1BNR1H2NR1H3TSHRNPC1 | |
| SCHEMBL6580979 | 0.86 | NR1H2 (0.43) | AVPR1BNR1H2NR1H3TSHRNPC1 | |
| SCHEMBL6580805 | 0.84 | TGM2 (0.51) | AVPR1BNR1H2NR1H3KDM4EALDH1A1 | |
| SCHEMBL6580974 | 0.84 | NR1H3 (0.43) | AVPR1BNR1H2NR1H3TSHRNPC1 | |
| SCHEMBL6581299 | 0.83 | NR1H2 (0.45) | AVPR1BNR1H2NR1H3KDM4EALDH1A1 | |
| SCHEMBL6580402 | 0.83 | NR1H3 (0.47) | AVPR1BNR1H2NR1H3TSHRNPC1 | |
| SCHEMBL6578252 | 0.83 | TSHR (0.47) | AVPR1BNR1H2NR1H3ALDH1A1LMNA | |
| SCHEMBL6581102 | 0.83 | NR1H3 (0.57) | AVPR1BNR1H2NR1H3ALDH1A1LMNA | |
| SCHEMBL6580838 | 0.82 | TSHR (0.44) | AVPR1BNR1H2NR1H3ALDH1A1MAPT |
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 |