Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL7822011 | 0.85 | CYP2A6 (0.39) | TAAR1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL8131456 | 0.83 | BCAT1 (0.36) | — | |
| SCHEMBL2014556 | 0.79 | BCAT1 (0.33) | TAAR1ELANECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2886283 | 0.78 | — | — | |
| SCHEMBL434024 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL3540772 | 0.76 | CYP2A6 (0.40) | KMONMUR2CYP1A2MAPK10MAPK14 | |
| SCHEMBL5673742 | 0.75 | CYP1A2 (0.33) | TAAR1ELANECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3537077 | 0.75 | CYP2A6 (0.36) | KMONMUR2HTR2CCYP1A2CYP2C9 | |
| SCHEMBL434626 | 0.74 | KCNN4 (0.36) | ELANECYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL17514770 | 0.71 | NISCH (0.38) | MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104507926-B | Serine/threonine kinase inhibitors | 阵列生物制药公司 | 2016-08-31 | — | — | CN | disclosed |