Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CYP51A1 | Q16850 | 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 | |
|---|---|---|---|---|
| SCHEMBL13627002 | 0.80 | CYP2A6 (0.38) | CYP2A6CYP1A2ENPP3ALPLENPP1 | |
| SCHEMBL7206268 | 0.79 | ALDH1A1 (0.36) | CYP1A2ALOX5TDP1MAPK1KDM4E | |
| SCHEMBL7205130 | 0.78 | CYP1A2 (0.37) | CYP2A6CYP1A2ENPP3ALPLENPP1 | |
| SCHEMBL3960261 | 0.73 | CYP2A6 (0.56) | CYP2A6CYP1A2ALOX5TDP1AGXT | |
| SCHEMBL7211150 | 0.69 | CYP1A2 (0.36) | CYP2A6CYP1A2ENPP1AGXTKDM4E | |
| SCHEMBL9171871 | 0.69 | CYP1A2 (0.36) | CYP2A6CYP1A2ENPP1AGXTKDM4E | |
| SCHEMBL9686797 | 0.69 | SMN1; SMN2 (0.37) | TDP1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10815029 | 0.69 | SMN1; SMN2 (0.37) | TDP1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13627007 | 0.69 | TNFRSF1A (0.30) | — | |
| SCHEMBL9171860 | 0.69 | CYP2A6 (0.34) | CYP2A6CYP1A2TDP1MAPK1NR1I2 |
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-6610891-B1 | Reduces degradation or decomposition of catalyst | MITSUBISHI CHEMICAL CORPORATION (JP) | 2003-08-26 | — | — | US | claimed |