Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 4/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10432673 | 0.89 | KCNA5 (0.42) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11493107 | 0.81 | KCNA5 (0.59) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL616174 | 0.77 | ALDH1A1 (0.57) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL2996471 | 0.76 | CYP19A1 (0.44) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL19627972 | 0.72 | CYP19A1 (0.57) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL10630760 | 0.71 | KCNA5 (0.51) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11628019 | 0.71 | KCNA5 (0.47) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL28731431 | 0.71 | KCNA5 (0.41) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11700013 | 0.70 | KCNA5 (0.50) | KCNA5CYP19A1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL11627298 | 0.70 | KCNA5 (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 |