Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | MARS1 | P56192 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GRN | P28799 | 2/20 | 0.45 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831595 | 0.93 | CA12 (0.56) | CA12CA1CA2CA9CCR2 | |
| SCHEMBL27811519 | 0.88 | CA12 (0.55) | CA12CA1CA2CA9CCR2 | |
| SCHEMBL27851691 | 0.84 | CA12 (0.47) | CA12CA1CA2CA9MAPT | |
| SCHEMBL27831428 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9GRN | |
| SCHEMBL28787802 | 0.81 | MARS1 (0.53) | TP53CCR2MARS1KMT2APTGER4 | |
| SCHEMBL27811239 | 0.81 | CA12 (0.72) | CA12CA1CA2CA9POLB | |
| SCHEMBL28787743 | 0.80 | CA12 (0.60) | CA12CA1CA2CA9GRN | |
| SCHEMBL27687135 | 0.75 | MARS1 (0.65) | TP53MARS1MAPTPOLBGRN | |
| SCHEMBL27811450 | 0.74 | CA12 (0.58) | CA12CA1CA2CA9TP53 | |
| SCHEMBL27811259 | 0.73 | MARS1 (0.52) | CA12CA1CA2CA9MARS1 |
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 |