Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159293 | 1.00 | KMT2A (0.37) | KMT2AALDH1A1HTTBLMCYP1A2 | |
| SCHEMBL20159986 | 0.89 | EGFR (0.33) | CYP3A4CYP2C9KCNH2MAPK14 | |
| SCHEMBL20138673 | 0.85 | NCOA1 (0.33) | KMT2AALDH1A1HTTPDE5ASLC6A2 | |
| SCHEMBL20139202 | 0.83 | ALDH1A1 (0.35) | KMT2AALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL20138854 | 0.82 | KDM4E (0.38) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20138857 | 0.82 | HTT (0.35) | KMT2AALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL20138709 | 0.80 | ALDH1A1 (0.38) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20138853 | 0.79 | HTT (0.42) | KMT2AALDH1A1HTTCYP1A2CYP3A4 | |
| SCHEMBL20154256 | 0.76 | SOS1 (0.36) | SLC6A4KCNH2 | |
| SCHEMBL6916024 | 0.75 | KMT2A (0.41) | KMT2AALDH1A1HTTCYP1A2CYP3A4 |
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-109790149-B | Phenoxytriazoles | 豪夫迈·罗氏有限公司 | 2022-05-17 | — | — | CN | disclosed |