Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27667248 | 0.83 | CYP1A2 (0.59) | ALDH1A1TRPA1CYP1A2KDM4ELMNA | |
| SCHEMBL8997131 | 0.82 | GABRA1 (0.47) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| Glycerin SCHEMBL27549627 | 0.81 | TRPA1 (0.68) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| Alcohol SCHEMBL28375945 | 0.80 | ALDH1A1 (0.78) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| Orthocresol SCHEMBL28056471 | 0.80 | CYP1A2 (0.52) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| SCHEMBL2500374 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| SCHEMBL11575272 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| SCHEMBL64141 | 0.80 | — | — | |
| SCHEMBL8997130 | 0.78 | GABRA1 (0.52) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 | |
| Propane SCHEMBL11575912 | 0.78 | ALDH1A1 (0.82) | ALDH1A1TRPA1CYP1A2KDM4EGABRA1 |
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-107434926-A | Container and other product coating compositions and coating method | 威士伯采购公司 | 2017-12-05 | — | — | CN | claimed |