Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 4/20 | 0.37 |
| ▸ | GABRD | O14764 | 4/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23500733 | 0.89 | CYP2C9 (0.47) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL28080390 | 0.88 | ALDH1A1 (0.46) | ALDH1A1LMNAELANECYP2C9CYP2C19 | |
| SCHEMBL24880001 | 0.84 | ALDH1A1 (0.40) | ALDH1A1LMNAELANEESR1CHRM1 | |
| SCHEMBL28593529 | 0.82 | TSHR (0.51) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL9589132 | 0.81 | GABRP (0.40) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29619749 | 0.80 | ATM (0.46) | ALDH1A1TDP1GABRPGABRDGABRA1 | |
| SCHEMBL29859779 | 0.80 | TSHR (0.47) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL6559030 | 0.80 | TSHR (0.47) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL2487071 | 0.80 | ATM (0.46) | ALDH1A1TDP1GABRPGABRDGABRA1 | |
| SCHEMBL20298338 | 0.78 | CYP2C9 (0.39) | ALDH1A1CYP2C9CYP2C19TSHRGABRP |
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-105777623-A | Method for preparing pyridine side chain methyl quaternary ammonium compound | 北京颖泰嘉和生物科技股份有限公司 | 2016-07-20 | — | — | CN | disclosed |