Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| SCHEMBL29432882 | 0.89 | TAAR1 (0.57) | TAAR1DRD4CYP3A4AOC3HTR3E | |
| SCHEMBL1499422 | 0.89 | TAAR1 (0.57) | TAAR1DRD4CYP3A4AOC3HTR3E | |
| SCHEMBL7051578 | 0.83 | PNMT (0.48) | TAAR1CYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL8804583 | 0.79 | DRD4 (0.51) | TAAR1DRD4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1499186 | 0.79 | MAOB (0.42) | TAAR1KDM4EALDH1A1MAOBSLC6A4 | |
| SCHEMBL14062562 | 0.74 | MAOB (0.42) | DRD4CYP1A2ALDH1A1HTTMAOB | |
| SCHEMBL15989864 | 0.72 | TAAR1 (0.63) | TAAR1CYP1A2CYP3A4CYP2D6GRIN2B | |
| SCHEMBL3061311 | 0.70 | TAAR1 (0.52) | TAAR1 | |
| SCHEMBL8488289 | 0.70 | MAOA (0.53) | TAAR1MAOBSLC6A4 | |
| SCHEMBL7142635 | 0.70 | ALDH1A1 (0.45) | CYP3A4ALDH1A1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2539375-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF Corporation (US) | 2013-01-02 | — | — | EP | disclosed |
| WO-2011106480-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF CORPORATION (US) | 2011-09-01 | — | — | WO | disclosed |