Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 4/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27851807 | 0.90 | MALT1 (0.49) | MARS1BRD4SIRT2MALT1NT5E | |
| SCHEMBL27811119 | 0.87 | BRD4 (0.52) | MARS1BRD4HTTMAPTKMT2A | |
| SCHEMBL28791272 | 0.83 | SMPD1 (0.48) | BRD4SIRT2MAPTKDM4EPDE10A | |
| SCHEMBL27811241 | 0.80 | BRD4 (0.55) | BRD4SIRT2HTTMAPTKMT2A | |
| SCHEMBL1988198 | 0.79 | RPA1 (0.58) | MARS1BRD4KMT2AALDH1A1MEN1 | |
| SCHEMBL27831429 | 0.79 | GRN (0.49) | MARS1BRD4SIRT2NT5EHTT | |
| SCHEMBL27811126 | 0.76 | CA12 (0.56) | MARS1SIRT2MALT1 | |
| SCHEMBL25412969 | 0.76 | MARS1 (0.58) | MARS1MALT1P2RY14KMT2AMEN1 | |
| SCHEMBL27811259 | 0.75 | MARS1 (0.52) | MARS1MALT1P2RY14MAPTKMT2A | |
| SCHEMBL20786115 | 0.75 | RPA1 (0.64) | KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102093341-B | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2013-07-24 | — | — | CN | claimed |
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | claimed |
| CN-102093341-B | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2013-07-24 | — | — | CN | disclosed |
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | disclosed |