Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.30 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9986536 | 1.00 | IDO1 (0.31) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL9986537 | 1.00 | IDO1 (0.31) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL9987478 | 1.00 | IDO1 (0.31) | IDO1CYP2C9CYP2C8CHRNA1CYP2C19 | |
| SCHEMBL9985505 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9985509 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9985507 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9985643 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9984809 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9984811 | 0.93 | KCNH2 (0.38) | KCNH2 | |
| SCHEMBL9985044 | 0.87 | KCNH2 (0.40) | KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012040321-A3 | METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION | GRUPO PETROTEMEX, S.A. DE C.V. (MX) | 2012-05-10 | — | — | WO | disclosed |
| EP-1981881-B1 | TETRAHYDROPYRANE ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-12-07 | — | — | EP | disclosed |