Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.70 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.70 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28187984 | 1.00 | GABRA1 (0.70) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL28191483 | 0.90 | GABRA1 (0.67) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL28191485 | 0.90 | GABRA1 (0.67) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL31406537 | 0.87 | MAPK1 (0.76) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL22813761 | 0.86 | MAPK1 (0.70) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL28190880 | 0.86 | MAPK1 (0.67) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL15125290 | 0.86 | MAPK1 (0.70) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL19063372 | 0.86 | MAPK1 (0.70) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL15125294 | 0.86 | MAPK1 (0.70) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 | |
| SCHEMBL28187358 | 0.86 | GABRA1 (0.67) | GABRA1GABRB2CYP1A2CYP3A4CYP11B1 |
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-107382870-A | N substituted imidazole carboxylic acid ester compounds and preparation method thereof and purposes in medicine | 四川海思科制药有限公司 | 2017-11-24 | — | — | CN | disclosed |