Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | PDE4A | P27815 | 8/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.55 |
| ▸ | PDE3B | Q13370 | 6/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 6/20 | 0.55 |
| ▸ | MARS1 | P56192 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.47 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811393 | 0.93 | MARS1 (0.54) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27831438 | 0.92 | CA12 (0.54) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27831440 | 0.88 | CA12 (0.59) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27811259 | 0.87 | MARS1 (0.52) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27831597 | 0.82 | CA12 (0.50) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL28787802 | 0.81 | MARS1 (0.53) | MARS1MALT1L3MBTL1 | |
| SCHEMBL27831428 | 0.79 | CA12 (0.61) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27811437 | 0.78 | CA12 (0.58) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL28787743 | 0.78 | CA12 (0.60) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27831427 | 0.76 | MARS1 (0.53) | MARS1SIRT2MALT1 |
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 |