Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28213412 | 1.00 | CES2 (0.36) | CES2CES1MGLLGAAHDAC8 | |
| SCHEMBL4866389 | 0.98 | CES2 (0.40) | CES2CES1MGLLGAAHDAC8 | |
| SCHEMBL4866380 | 0.98 | CES2 (0.40) | CES2CES1MGLLGAAHDAC8 | |
| SCHEMBL4866385 | 0.98 | CES2 (0.40) | CES2CES1MGLLGAAHDAC8 | |
| SCHEMBL22551381 | 0.90 | — | — | |
| SCHEMBL22551380 | 0.90 | — | — | |
| SCHEMBL13825212 | 0.82 | CES2 (0.36) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL6438937 | 0.76 | APLNR (0.32) | — | |
| SCHEMBL6438934 | 0.76 | APLNR (0.32) | — | |
| SCHEMBL1685564 | 0.73 | MGLL (0.36) | CES2CES1MGLLHDAC8HDAC6 |
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-107759623-A | Intermediate of JAK inhibitor and preparation method thereof | 苏州旺山旺水生物医药有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107759601-A | A kind of preparation method of JAK inhibitor and its salt | 苏州旺山旺水生物医药有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-105461630-B | Luso replaces Buddhist nun's intermediate (R) 3（The base of 4 bromine 1H pyrazoles 1）The synthetic method of 3 cyclopenta propionitrile | 武汉恒瑞达生物医药科技有限公司 | 2017-12-19 | — | — | CN | disclosed |