Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 3/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 SCHEMBL7671787 | 0.99 | HTR6 (0.40) | HTR6KEAP1NFE2L2HRH3UTS2R | |
| SCHEMBL7665348 | 0.91 | ROCK1 (0.44) | CYP3A4SMN1; SMN2PMP22 | |
| Hydrochloric Acid SCHEMBL7665340 | 0.90 | ROCK1 (0.43) | CYP3A4SMN1; SMN2PMP22 | |
| SCHEMBL7662944 | 0.89 | HRH3 (0.39) | HTR6HRH3CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL7662933 | 0.88 | BLM (0.39) | HTR6HRH3CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7669905 | 0.87 | HTR6 (0.36) | HTR6KEAP1NFE2L2CYP1A2CYP3A4 | |
| SCHEMBL7672815 | 0.86 | OXTR (0.42) | HRH3CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7670137 | 0.84 | OXTR (0.41) | HRH3CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL7663066 | 0.83 | PGR (0.41) | HRH3SMN1; SMN2OXTRAVPR1AMAPT | |
| SCHEMBL7671754 | 0.83 | NPC1 (0.43) | SMN1; SMN2OXTRAVPR1AMAPTDRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6403607-B1 | ANTIULCER | Hidaka, Hiroyoshi (JP) | 2002-06-11 | — | — | US | disclosed |
| EP-1072587-A1 | SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Hidaka, Hiroyoshi (JP) | 2001-01-31 | — | — | EP | disclosed |