Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6635781 | 0.94 | MAPT (0.42) | CACNA1HCACNA1BSCN9AALOX5APMAPT | |
| SCHEMBL6640165 | 0.88 | F10 (0.39) | MAPTNPC1NLRP3NPSR1CNR2 | |
| SCHEMBL6634416 | 0.84 | MAPT (0.36) | CACNA1HCACNA1BALOX5APMAPTNPC1 | |
| SCHEMBL6635525 | 0.83 | AR (0.48) | ALOX5APMAPTNPSR1HTTMEN1 | |
| SCHEMBL6636378 | 0.82 | F10 (0.43) | MAPTNPC1NLRP3NPSR1CNR2 | |
| SCHEMBL6633284 | 0.81 | ALOX5AP (0.39) | SCN9AALOX5APMAPTNPC1NLRP3 | |
| SCHEMBL6642040 | 0.79 | F10 (0.44) | MEN1KMT2A | |
| SCHEMBL6639192 | 0.79 | MAPT (0.40) | CACNA1HCACNA1BALOX5APMAPTNPC1 | |
| SCHEMBL6634421 | 0.78 | HCRTR2 (0.39) | ALOX5APMAPTNPC1NLRP3PPARG | |
| SCHEMBL6633348 | 0.78 | PPARG (0.48) | ALOX5APMAPTNPC1NLRP3PPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100795-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-06-09 | — | — | EP | disclosed |
| US-6121308-A | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM KG (DE) | 2000-09-19 | — | — | US | disclosed |