Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811119 | 0.89 | BRD4 (0.52) | BRD4NPC1RAB9AHTR7HTR6 | |
| SCHEMBL27831436 | 0.88 | MAPT (0.47) | SMPD1CNR1NPC1RAB9AHTR7 | |
| SCHEMBL27831427 | 0.83 | MARS1 (0.53) | BRD4SIRT2KDM4EMAPTPDE10A | |
| SCHEMBL27811241 | 0.82 | BRD4 (0.55) | BRD4HTR7HTR6SIRT2SIRT1 | |
| SCHEMBL27811234 | 0.80 | MAPT (0.44) | BRD4NPC1RAB9AGABRA1GABRB2 | |
| SCHEMBL27811437 | 0.78 | CA12 (0.58) | SMPD1CNR1KDM4E | |
| SCHEMBL27811235 | 0.77 | MTNR1A (0.44) | NPC1RAB9AKDM4EMAPT | |
| SCHEMBL27811236 | 0.76 | MAPT (0.51) | BRD4HTR7HTR6GABRA1GABRB2 | |
| SCHEMBL1988198 | 0.76 | RPA1 (0.58) | BRD4 | |
| SCHEMBL27851807 | 0.73 | MALT1 (0.49) | BRD4SIRT2MAPT |
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 |