Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4988615 | 0.88 | LMNA (0.46) | SMN1; SMN2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL4441872 | 0.87 | MAPT (0.47) | SMN1; SMN2ALDH1A1HPGDNPC1MAPT | |
| SCHEMBL4994434 | 0.86 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL4999750 | 0.81 | MAP4K4 (0.43) | SMN1; SMN2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL4999910 | 0.78 | SMN1; SMN2 (0.53) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL4436080 | 0.78 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL13685560 | 0.78 | HDAC6 (0.47) | SMN1; SMN2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL4996144 | 0.78 | ROCK2 (0.52) | CYP3A4SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL5000058 | 0.78 | RAB9A (0.42) | SMN1; SMN2ALDH1A1HPGDNPC1MAPT | |
| SCHEMBL4441894 | 0.77 | MEN1 (0.57) | SMN1; SMN2ALDH1A1NPC1 |
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-101558040-A | Dihydropyridine derivatives useful as protein kinase inhibitors | BAYER SCHERING PHARMA AG (DE) | 2009-10-14 | — | — | CN | claimed |
| CN-101558040-A | Dihydropyridine derivatives useful as protein kinase inhibitors | BAYER SCHERING PHARMA AG (DE) | 2009-10-14 | — | — | CN | disclosed |