Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 7/20 | 0.53 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.53 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811259 | 0.93 | MARS1 (0.52) | MARS1MALT1P2RY14KMT2A | |
| SCHEMBL27811393 | 0.88 | MARS1 (0.54) | MARS1MALT1P2RY14PTGER4 | |
| SCHEMBL27811126 | 0.81 | CA12 (0.56) | MARS1MALT1L3MBTL1 | |
| SCHEMBL27831594 | 0.81 | CA12 (0.52) | MARS1PTGER4KMT2ATP53CCR2 | |
| SCHEMBL27831438 | 0.81 | CA12 (0.54) | MARS1MALT1P2RY14L3MBTL1 | |
| SCHEMBL27831595 | 0.73 | CA12 (0.56) | MARS1CCR2 | |
| SCHEMBL27831440 | 0.72 | CA12 (0.59) | MALT1TP53L3MBTL1 | |
| SCHEMBL27811437 | 0.72 | CA12 (0.58) | — | |
| SCHEMBL27831427 | 0.70 | MARS1 (0.53) | MARS1MALT1P2RY14KMT2A | |
| SCHEMBL117498 | 0.70 | MARS1 (1.00) | MARS1MALT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |