Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6578559 | 0.96 | KCNJ6 (0.41) | KCNJ6KCNJ5KCNJ3ALDH1A1LMNA | |
| SCHEMBL6582750 | 0.84 | NR1H2 (0.46) | NR1H2NR1H3ALDH1A1LMNANPC1 | |
| SCHEMBL6582793 | 0.82 | NR1H2 (0.47) | NR1H2NR1H3TSHRNPC1RAB9A | |
| SCHEMBL6578166 | 0.81 | HSD17B2 (0.51) | NR1H2NR1H3ALDH1A1HPGDHSD17B10 | |
| SCHEMBL6584155 | 0.81 | NR1H3 (0.51) | NR1H2NR1H3ALDH1A1HPGDTSHR | |
| SCHEMBL6581016 | 0.80 | AVPR1B (0.43) | NR1H2NR1H3AVPR1BL3MBTL1 | |
| Hydrochloric Acid SCHEMBL6582796 | 0.79 | NR1H2 (0.45) | NR1H2NR1H3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL6578548 | 0.79 | NR1H3 (0.64) | NR1H2NR1H3ALDH1A1LMNANPC1 | |
| SCHEMBL6582832 | 0.78 | L3MBTL1 (0.43) | NR1H2NR1H3AVPR1BL3MBTL1 | |
| SCHEMBL6582997 | 0.78 | NR1H2 (0.43) | NR1H2NR1H3ALDH1A1HPGDHSD17B10 |
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 |