Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28775586 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL29564074 | 0.82 | KMT2A (0.42) | ALDH1A1KMT2APOLBLMNAGAA | |
| SCHEMBL13797458 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL28537928 | 0.79 | KMT2A (0.40) | ALDH1A1KMT2ALMNAGAAMEN1 | |
| SCHEMBL18748725 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL14578756 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL18760683 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL7587366 | 0.76 | KMT2A (0.47) | ALDH1A1KMT2ALMNAGAAMEN1 | |
| SCHEMBL2081536 | 0.76 | KMT2A (0.47) | ALDH1A1KMT2ALMNAGAAMEN1 | |
| SCHEMBL2325747 | 0.76 | KMT2A (0.47) | ALDH1A1KMT2ALMNAGAAMEN1 |
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-105524053-B | Tetrahydrobenzothiophene compounds | 广东东阳光药业有限公司 | 2020-06-05 | — | — | CN | disclosed |