Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 4/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPY1R | P25929 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPY2R | P49146 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811126 | 0.93 | CA12 (0.56) | MARS1MALT1CA12CA1CA2 | |
| SCHEMBL28787802 | 0.88 | MARS1 (0.53) | MARS1MALT1P2RY14PTGER4 | |
| SCHEMBL27831438 | 0.86 | CA12 (0.54) | MARS1MALT1CA12CA1CA2 | |
| SCHEMBL27831440 | 0.82 | CA12 (0.59) | MALT1CA12CA1CA2CA9 | |
| SCHEMBL27811259 | 0.81 | MARS1 (0.52) | MARS1MALT1CA12CA1CA2 | |
| SCHEMBL27811519 | 0.80 | CA12 (0.55) | MARS1ESR1CA12CA1CA2 | |
| SCHEMBL27831597 | 0.77 | CA12 (0.50) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL27811437 | 0.75 | CA12 (0.58) | CA12CA1CA2CA9PDE4A | |
| SCHEMBL13621801 | 0.73 | LMNA (0.68) | KDM4EMAPTNPY1RHTTNPY2R | |
| SCHEMBL27831428 | 0.73 | CA12 (0.61) | CA12CA1CA2CA9PDE4A |
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 |