Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8967010 | 0.81 | MET (0.44) | HTTALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL5221215 | 0.79 | PDE10A (0.48) | CYP1A2HTTALDH1A1HPGDKDM4E | |
| SCHEMBL9414452 | 0.78 | EGLN1 (0.40) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9411413 | 0.77 | PDE4B (0.43) | HTTALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL1398193 | 0.76 | ALDH1A1 (0.47) | CYP1A2HTTALDH1A1NPSR1HPGD | |
| SCHEMBL9358679 | 0.76 | PARP1 (0.56) | CYP1A2HTTALDH1A1NPSR1KDM4E | |
| SCHEMBL2308927 | 0.74 | FABP5 (0.53) | HTTALDH1A1NPSR1KDM4EMAPT | |
| SCHEMBL9411557 | 0.74 | KDM4E (0.44) | HTTKDM4ESMN1; SMN2KMT2AESR1 | |
| SCHEMBL5545382 | 0.72 | CYP1A2 (0.50) | CYP1A2HTTALDH1A1NPSR1HPGD | |
| SCHEMBL5215594 | 0.72 | KDM4E (0.53) | CYP1A2HTTALDH1A1NPSR1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2086969-B1 | 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AG (DE) | 2011-03-02 | — | — | EP | disclosed |
| EP-2086969-A1 | 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | Bayer Schering Pharma AG (DE) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008034534-A1 | 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-27 | — | — | WO | disclosed |