Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811236 | 0.89 | MAPT (0.51) | MAPTALPLHTTNR4A2CREBBP | |
| SCHEMBL28791272 | 0.88 | SMPD1 (0.48) | MAPTSMPD1HTR7HTR6CNR1 | |
| SCHEMBL27831435 | 0.83 | MAPT (0.54) | MAPTALPLHTTNR4A2CREBBP | |
| SCHEMBL28791251 | 0.77 | MTNR1A (0.44) | MAPTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL27811119 | 0.77 | BRD4 (0.52) | MAPTALPLHTTHTR7HTR6 | |
| SCHEMBL27811234 | 0.73 | MAPT (0.44) | MAPTALPLHTTNPC1RAB9A | |
| SCHEMBL27831427 | 0.71 | MARS1 (0.53) | MAPTHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL27851807 | 0.71 | MALT1 (0.49) | MAPTHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL27811241 | 0.70 | BRD4 (0.55) | MAPTALPLHTTCREBBPHTR7 | |
| SCHEMBL855951 | 0.69 | MAPT (0.62) | MAPTALPLHTTNR4A2CREBBP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |