Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | RECQL | P46063 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | CYP2J2 | P51589 | 11/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9874072 | 0.94 | RECQL (0.66) | HTTRECQLNPSR1CYP2J2CYP3A4 | |
| SCHEMBL9874149 | 0.87 | CYP2J2 (0.61) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| SCHEMBL9786843 | 0.85 | BCHE (0.60) | HTTRECQLNPSR1CYP2J2HRH1 | |
| SCHEMBL9874649 | 0.84 | CYP2J2 (0.54) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| SCHEMBL9871858 | 0.84 | CYP2J2 (0.58) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| SCHEMBL9873524 | 0.84 | CYP2J2 (0.58) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| Hydrochloric Acid SCHEMBL9873619 | 0.82 | CYP2J2 (0.56) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| Hydrochloric Acid SCHEMBL9873629 | 0.82 | CYP2J2 (0.56) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| SCHEMBL9873774 | 0.82 | CYP2J2 (0.56) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 | |
| SCHEMBL9874017 | 0.81 | CYP2J2 (0.51) | CYP2J2CYP3A4CYP2C9CYP2B6HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5057524-A | Asthma, dermatitis | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-10-15 | — | — | US | disclosed |