Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 6/20 | 0.47 |
| ▸ | FAAH | O00519 | 4/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24966152 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TDP1BRD4FAAHKDM5A | |
| SCHEMBL24966148 | 0.89 | BRD4 (0.46) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL28206403 | 0.89 | BRD4 (0.49) | ALDH1A1TDP1BRD4FAAHKDM5A | |
| SCHEMBL23234281 | 0.89 | BRD4 (0.46) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL24966182 | 0.87 | BRD4 (0.45) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL24966867 | 0.84 | BRD4 (0.46) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL24966866 | 0.84 | BRD4 (0.43) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL24966063 | 0.83 | BRD4 (0.42) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL23234016 | 0.82 | FAAH (0.44) | ALDH1A1TDP1BRD4FAAHMAPK1 | |
| SCHEMBL24966076 | 0.82 | BRD4 (0.41) | ALDH1A1TDP1BRD4FAAHMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110724106-A | Substituted pyrazole formate derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2020-01-24 | — | — | CN | disclosed |
| CN-110669017-A | Polysubstituted triazole formate derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2020-01-10 | — | — | CN | disclosed |