Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.60 |
| ▸ | RARG | P13631 | 1/20 | 0.60 |
| ▸ | CNR1 | P21554 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.60 |
| ▸ | PPARA | Q07869 | 1/20 | 0.60 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.60 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22539312 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19844611 | 0.83 | CYP3A4 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7105553 | 0.82 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7107731 | 0.82 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28095683 | 0.82 | MME (0.62) | ALDH1A1MAPK1MEN1KMT2AHPGD | |
| SCHEMBL28095685 | 0.82 | MME (0.62) | ALDH1A1MAPK1MEN1KMT2AHPGD | |
| SCHEMBL19844612 | 0.81 | CYP2D6 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7107227 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7694738 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10694679 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-103739531-B | Novel aminoacid derivate, its preparation method and therapeutic use | 领先药物公司 | 2016-09-14 | — | — | CN | disclosed |