Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL31448567 | 1.00 | TAAR1 (0.31) | TAAR1IDO1TRPA1 | |
| SCHEMBL1538924 | 0.78 | GABRA1 (0.35) | IDO1TRPA1 | |
| SCHEMBL24597112 | 0.77 | — | — | |
| SCHEMBL24355265 | 0.77 | — | — | |
| SCHEMBL4088437 | 0.77 | TAAR1 (0.33) | TAAR1IDO1 | |
| SCHEMBL24803974 | 0.75 | PDPK1 (0.31) | — | |
| SCHEMBL24597274 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL2306254 | 0.75 | S1PR1 (0.38) | — | |
| SCHEMBL11606150 | 0.74 | CYP3A4 (0.44) | TAAR1IDO1 | |
| SCHEMBL28812085 | 0.74 | TSHR (0.38) | TAAR1IDO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117185897-A | Synthesis method of difluoromethyl halobenzene | 上海泰坦科技股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| EP-1989191-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | Boehringer Ingelheim International GmbH (DE) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007093610-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-08-23 | — | — | WO | disclosed |
| CN-1220666-C | Monomer containing electron drawing group and electron donating group and polymer and proton conductive membrane containing same | JSR CORP (JP) | 2005-09-28 | — | — | CN | disclosed |
| CN-1379009-A | Monomer containing electron drawing group and electron donating group and polymer and proton conductive membrane containing same | JSR CORP (JP) | 2002-11-13 | — | — | CN | disclosed |