Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL698811 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL1973549 | 0.81 | KDM4E (0.57) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL69159 | 0.79 | ALDH1A1 (0.58) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL4908303 | 0.78 | BCAT2 (0.53) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL21543943 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| Hydrochloric Acid SCHEMBL29161457 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL31622301 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL29228925 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| Hydrochloric Acid SCHEMBL5553175 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1GLAHPGDKDM4E | |
| SCHEMBL5239795 | 0.77 | MAPK8 (0.51) | ALDH1A1MAPK1GLAHPGDKDM4E |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |