Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | QPCT | Q16769 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11262189 | 0.95 | CYP2A6 (0.50) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11253258 | 0.93 | CYP2A6 (0.50) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11251892 | 0.88 | QPCT (0.47) | CYP19A1CYP11B1CYP11B2QPCTALDH1A1 | |
| SCHEMBL11253718 | 0.88 | QPCT (0.46) | CYP19A1CYP11B1CYP11B2QPCTCYP1A2 | |
| SCHEMBL11264249 | 0.88 | CYP2A6 (0.52) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11262573 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11267575 | 0.85 | CYP19A1 (0.46) | CYP19A1 | |
| SCHEMBL11264876 | 0.85 | NOS1 (0.50) | CYP19A1QPCTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11268189 | 0.85 | MEN1 (0.52) | CYP19A1CYP11B1QPCTALDH1A1TP53 | |
| SCHEMBL11265597 | 0.85 | CYP2A6 (0.45) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 |
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-4359475-A | SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS | SYNTEX (U.S.A.) INC. (US) | 1982-11-16 | — | — | US | disclosed |