Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8162156 | 0.77 | HDAC9 (0.39) | HDAC9TSHRCA1CA2ORAI1 | |
| SCHEMBL4644536 | 0.72 | HTR2A (0.37) | HDAC9 | |
| SCHEMBL9439533 | 0.70 | HDAC9 (0.44) | HDAC9MME | |
| Methyl Alcohol SCHEMBL28424110 | 0.70 | HTR2A (0.35) | HDAC9 | |
| Methane SCHEMBL29046923 | 0.70 | HTR2A (0.35) | HDAC9 | |
| SCHEMBL7187296 | 0.70 | HDAC9 (0.35) | HDAC9TSHRCA1CA2MME | |
| SCHEMBL27498922 | 0.70 | HTR2A (0.35) | HDAC9 | |
| SCHEMBL196204 | 0.69 | SIGMAR1 (0.44) | HDAC9TSHRAHRPDK2NPC1 | |
| SCHEMBL8080060 | 0.69 | HDAC9 (0.47) | HDAC9TSHR | |
| SCHEMBL18091534 | 0.69 | ESR2 (0.35) | HDAC9MME |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633348-B1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | ELAN PHARM INC (US) | 2008-10-08 | — | — | EP | disclosed |