Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2225099 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2D6KCNH2GPR35MAPT | |
| Succinimide SCHEMBL4975379 | 0.74 | KMT2A (0.37) | MAPTGAA | |
| SCHEMBL5228048 | 0.74 | ALDH1A1 (0.44) | CYP3A4CYP2D6KCNH2MAPT | |
| SCHEMBL4973028 | 0.74 | CYP3A4 (0.42) | CYP3A4CYP2D6KCNH2MAPT | |
| SCHEMBL5007159 | 0.68 | CYP3A4 (0.39) | CYP3A4CYP2D6KCNH2MAPTGAA | |
| SCHEMBL2109577 | 0.64 | CYP3A4 (0.34) | CYP3A4CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL27660461 | 0.62 | CYP3A4 (0.33) | CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4753776 | 0.61 | GPR35 (0.68) | GPR35BCAT2PTPN1 | |
| SCHEMBL2727696 | 0.61 | GPR35 (0.66) | GPR35MAPTBCAT2PTPN1 | |
| Succinimide SCHEMBL2221415 | 0.60 | CRBN (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008121666-A1 | USE OF 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER FOR PREPARING THE TRYPTASE INHIBITOR [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE | SANOFI-AVENTIS (FR) | 2008-10-09 | — | — | WO | disclosed |
| WO-2008121669-A1 | 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER, ITS REGIO-SPECIFIC SYNTHESIS AND INTERMEDIATE THERETO | SANOFI-AVENTIS (FR) | 2008-10-09 | — | — | WO | disclosed |