Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 7/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 0.36 |
| ▸ | FAP | Q12884 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 2/20 | 0.34 |
| ▸ | ADH1C | P00326 | 2/20 | 0.34 |
| ▸ | ADH1A | P07327 | 2/20 | 0.34 |
| ▸ | ADH7 | P40394 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408815 | 0.81 | POLB (0.36) | DPP4ADH1BADH1CADH1AADH7 | |
| SCHEMBL27896441 | 0.81 | EPHX2 (0.38) | DPP4 | |
| SCHEMBL27896434 | 0.81 | CYP3A4 (0.39) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL28826381 | 0.81 | DPP4 (0.40) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL6316031 | 0.79 | CHRM2 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL27896402 | 0.78 | ACE (0.36) | — | |
| SCHEMBL28232406 | 0.78 | HSD17B10 (0.47) | — | |
| SCHEMBL27896437 | 0.78 | CYP3A4 (0.32) | FAPDPP4DPP8DPP9 | |
| SCHEMBL29091403 | 0.77 | DPP4 (0.34) | PREPFAPDPP4DPP8DPP9 | |
| SCHEMBL29091404 | 0.77 | DPP4 (0.33) | PREPFAPDPP4DPP8DPP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102791693-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-04-13 | — | — | CN | claimed |
| CN-102791693-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-11-21 | — | — | CN | claimed |
| CN-104262227-B | A method of preparing (S) -1- (2- chloracetyls) pyrrolidines -2- formonitrile HCNs | 东北制药集团股份有限公司 | 2018-09-18 | — | — | CN | disclosed |