Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL28795662 | 1.00 | ATM (0.38) | ATMCYP2C19GABRR1POLBGAA | |
| SCHEMBL474269 | 1.00 | ATM (0.38) | ATMCYP2C19GABRR1POLBGAA | |
| SCHEMBL30779755 | 0.86 | CYP2C19 (0.36) | CYP2C19GABRR1POLBGAASLC6A4 | |
| SCHEMBL29105801 | 0.84 | ATM (0.40) | ATM | |
| SCHEMBL29105799 | 0.84 | ATM (0.40) | ATM | |
| SCHEMBL1769221 | 0.81 | CYP2C19 (0.39) | CYP2C19GABRR1POLBGAACYP1A2 | |
| SCHEMBL32669181 | 0.79 | CHRNB2 (0.46) | ATM | |
| SCHEMBL14167702 | 0.79 | ALDH1A1 (0.40) | ATMPOLBGAA | |
| SCHEMBL321905 | 0.78 | — | — | |
| SCHEMBL21178530 | 0.77 | GABRR1 (0.39) | CYP2C19GABRR1POLBGAASLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105764887-A | Nitrogen-containing saturated heterocyclic compound | 住友化学株式会社 | 2016-07-13 | — | — | CN | disclosed |
| EP-2411011-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111056-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |