Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 3/20 | 0.59 |
| ▸ | DRD2 | P14416 | 8/20 | 0.59 |
| ▸ | DRD4 | P21917 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 3/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9028512 | 0.83 | KDM4E (0.68) | ALDH1A1KDM4ETDP1HTR1ADRD2 | |
| SCHEMBL8876209 | 0.80 | DRD2 (0.82) | HTR1ADRD2DRD4DRD3ADRA1A | |
| SCHEMBL8443510 | 0.79 | KDM4E (0.62) | ALDH1A1KDM4ETDP1HTR1ADRD2 | |
| SCHEMBL9035056 | 0.78 | HTR1A (0.53) | HTR1ADRD2DRD3HTR7 | |
| SCHEMBL6526368 | 0.77 | DRD2 (0.85) | ALDH1A1HTR1ADRD2DRD3ADRA1A | |
| SCHEMBL6956822 | 0.77 | KDM4E (0.72) | ALDH1A1KDM4ETDP1HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL9467013 | 0.77 | HTR1A (0.52) | HTR1ADRD2DRD3HTR7 | |
| Hydrochloric Acid SCHEMBL9467009 | 0.77 | HTR1A (0.52) | HTR1ADRD2DRD3HTR7 | |
| SCHEMBL1193550 | 0.76 | HTR1A (0.77) | ALDH1A1KDM4ETDP1HTR1ADRD2 | |
| SCHEMBL11030623 | 0.76 | HTR1A (0.73) | ALDH1A1KDM4ETDP1HTR1ADRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |
| WO-1993017007-A1 | HETEROBICYCLIC COMPOUNDS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) | 1993-09-02 | — | — | WO | disclosed |
| EP-0558245-A1 | Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors | RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) | 1993-09-01 | — | — | EP | disclosed |