Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 7/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703205 | 0.93 | KCNA5 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11702234 | 0.93 | KCNA5 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11629188 | 0.92 | CYP11B2 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11698439 | 0.92 | CYP11B2 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11699393 | 0.92 | CYP11B2 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL11698808 | 0.91 | CYP11B2 (0.42) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11627761 | 0.77 | CNR1 (0.44) | KCNA5KCNH2KDM4ELMNACYP11B2 | |
| SCHEMBL15130371 | 0.73 | ALDH1A1 (0.39) | KCNA5CYP19A1KCNH2CYP11B2 | |
| SCHEMBL24067353 | 0.73 | CYP19A1 (0.40) | KCNA5CYP19A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL11666741 | 0.73 | CYP19A1 (0.47) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 |
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-4039675-A | α,α-Dialkyl-substituted 3-pyridinemethanols as fungicidal agents | ELI LILLY AND COMPANY (US) | 1977-08-02 | — | — | US | disclosed |