Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 SCHEMBL10567073 | 0.98 | KCNA5 (0.56) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10999210 | 0.81 | KCNA5 (0.47) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11631869 | 0.77 | KCNA5 (0.65) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9575287 | 0.74 | KCNA5 (0.61) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9372131 | 0.74 | CYP19A1 (0.53) | KCNA5CYP3A4CYP19A1 | |
| SCHEMBL4336663 | 0.73 | KCNA5 (1.00) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11493107 | 0.73 | KCNA5 (0.59) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Naphthalene SCHEMBL9794534 | 0.73 | CYP19A1 (0.49) | KCNA5CYP3A4CYP19A1 | |
| SCHEMBL11806774 | 0.70 | CYP1A2 (1.00) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL913686 | 0.70 | CYP19A1 (0.72) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 |
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 1 patent. 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 | disclosed |