Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 6/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7761752 | 0.85 | SRC (0.56) | ICMTSRCALDH1A1 | |
| SCHEMBL28135229 | 0.84 | ICMT (0.41) | ICMTSRCHTTALDH1A1RAB9A | |
| SCHEMBL4683962 | 0.82 | CA2 (0.50) | CA2ALDH1A1RAB9A | |
| SCHEMBL2702114 | 0.82 | ICMT (0.45) | ICMTSRCHTTCA2RAB9A | |
| SCHEMBL510547 | 0.82 | SRC (0.61) | SRCALDH1A1 | |
| SCHEMBL30570712 | 0.82 | TAAR1 (0.52) | ICMTSRCHTTCA2ALDH1A1 | |
| SCHEMBL1478491 | 0.82 | TAAR1 (0.52) | ICMTSRCHTTCA2ALDH1A1 | |
| SCHEMBL14543279 | 0.82 | ICMT (0.40) | ICMTSRCHTTCA2ALDH1A1 | |
| SCHEMBL598593 | 0.81 | TAAR1 (0.44) | SRCL3MBTL1TAAR1 | |
| SCHEMBL3658428 | 0.81 | ICMT (0.44) | ICMTSRCHTTCA2RAB9A |
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-108947884-A | A kind of Preparation Method And Their Intermediate of imrecoxib | 江苏美迪克化学品有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-108947884-A | A kind of Preparation Method And Their Intermediate of imrecoxib | 江苏美迪克化学品有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-108707100-A | A kind of preparation method of imrecoxib intermediate and imrecoxib | 江苏美迪克化学品有限公司 | 2018-10-26 | — | — | CN | disclosed |