Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 7/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7926926 | 0.80 | HTR1A (0.40) | HTR1ADRD2CHRM2CHRM1CHRM3 | |
| SCHEMBL7936583 | 0.72 | CHRM2 (0.40) | CHRM2 | |
| SCHEMBL11701191 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL2046093 | 0.68 | CPT1A (0.33) | — | |
| SCHEMBL7359388 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL9982228 | 0.66 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL15803851 | 0.65 | CPT1A (0.36) | KDM4E | |
| SCHEMBL9982225 | 0.65 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL7926481 | 0.65 | HTR1A (0.46) | HTR1ADRD2 | |
| SCHEMBL10857643 | 0.64 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6331636-B1 | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL | THE UPJOHN COMPANY | 2001-12-18 | — | — | US | disclosed |
| US-5545755-A | USEFUL TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS, HYPERTENSION, DIABETES, SEXUAL IMPOTENCY AND TO CONTROL APPETITE | THE UPJOHN COMPANY (US) | 1996-08-13 | — | — | US | disclosed |
| WO-1992006967-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1992-04-30 | — | — | WO | disclosed |
| EP-0476016-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| WO-1990015047-A1 | THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |