Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28843680 | 0.83 | LMNA (0.39) | CYP1A2ALDH1A1LMNA | |
| SCHEMBL31538680 | 0.83 | LMNA (0.39) | CYP1A2ALDH1A1LMNA | |
| SCHEMBL25292012 | 0.80 | CYP1A2 (0.35) | CYP1A2ALDH1A1KDM4ELMNAL3MBTL1 | |
| SCHEMBL1389781 | 0.79 | LMNA (0.41) | LMNA | |
| SCHEMBL2250599 | 0.77 | KMT2A (0.34) | CYP1A2ALDH1A1KDM4ELMNA | |
| SCHEMBL21767983 | 0.76 | KDM4E (0.35) | CYP1A2ALDH1A1KDM4ELMNAL3MBTL1 | |
| SCHEMBL25266723 | 0.76 | NPC1 (0.37) | CYP1A2ALDH1A1KDM4ELMNA | |
| SCHEMBL28413030 | 0.74 | TYMP (0.36) | CYP1A2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL6172765 | 0.73 | ALDH1A1 (0.34) | CYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL20395961 | 0.72 | CYP1A2 (0.38) | CYP1A2ALDH1A1ESR2ALDH1A3KDM4E |
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-111377931-A | Organic compound and application thereof | 北京鼎材科技有限公司 | 2020-07-07 | — | — | CN | disclosed |