Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL22468363 | 0.90 | CYP1A2 (0.32) | CYP1A2GRM5USP30 | |
| SCHEMBL102170 | 0.79 | GRM5 (0.35) | CYP1A2GRM5USP30 | |
| SCHEMBL22616054 | 0.77 | ESR2 (0.33) | — | |
| SCHEMBL18075915 | 0.76 | GRM5 (0.31) | CYP1A2GRM5 | |
| SCHEMBL3770054 | 0.76 | SRD5A2 (0.30) | — | |
| SCHEMBL23539551 | 0.75 | CYP1A2 (0.30) | CYP1A2GRM5 | |
| SCHEMBL4407245 | 0.72 | GRM5 (0.33) | CYP1A2GRM5 | |
| SCHEMBL20994916 | 0.69 | USP30 (0.33) | CYP1A2GRM5USP30 | |
| SCHEMBL14808820 | 0.69 | — | — | |
| SCHEMBL22615936 | 0.69 | ALDH1A1 (0.31) | CYP1A2GRM5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758050-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| EP-2758051-A1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013043962-A1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| WO-2013043964-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |