Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.30 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL2628929 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 | |
| SCHEMBL162380 | 0.78 | HPGDS (0.38) | CYP2C9HPGDSABCB1ALDH1A1 | |
| SCHEMBL313453 | 0.77 | ALDH1A1 (0.45) | CYP1A2CYP2C9LMNAKMT2AALDH1A1 | |
| SCHEMBL27588098 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 | |
| SCHEMBL27710732 | 0.77 | HPGDS (0.37) | HPGDSKMT2AALDH1A1 | |
| SCHEMBL29225400 | 0.77 | GRM5 (0.41) | HPGDSABCB1ALDH1A1 | |
| SCHEMBL313040 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 | |
| SCHEMBL10247168 | 0.75 | ALDH1A1 (0.39) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 | |
| SCHEMBL13147619 | 0.74 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 | |
| SCHEMBL313442 | 0.74 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9GRM1TRPA1 |
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-108084111-A | A kind of synthetic method of aminated compounds of the pharmaceutical intermediate containing sulfur nitrogen heterocycle | 北京六合宁远科技有限公司 | 2018-05-29 | — | — | CN | claimed |
| CN-108084111-A | A kind of synthetic method of aminated compounds of the pharmaceutical intermediate containing sulfur nitrogen heterocycle | 北京六合宁远科技有限公司 | 2018-05-29 | — | — | CN | disclosed |