Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL147199 | 0.90 | CYP3A4 (0.61) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL11272616 | 0.89 | KCNA3 (0.59) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL14535234 | 0.85 | HPGD (0.51) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL3021299 | 0.85 | RAB9A (0.59) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL10272586 | 0.85 | HIF1A (0.57) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL3160862 | 0.85 | HPGD (0.48) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL12108087 | 0.85 | HPGD (0.48) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL10452372 | 0.84 | CYP3A4 (0.59) | HRH1KCNA3CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1122621 | 0.84 | PKM (0.63) | HPGDALDH1A1CYP1A2RAB9ACYP2C19 | |
| SCHEMBL13185257 | 0.83 | TSHR (0.56) | HRH1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0279707-A2 | Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-24 | — | — | EP | claimed |
| EP-0279707-A2 | Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-24 | — | — | EP | disclosed |