Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL4195132 | 0.83 | CHRNB2 (0.44) | CYP11B1CYP11B2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL3310894 | 0.81 | MEN1 (0.45) | ALDH1A1NPC1MAPTKDM4ETSHR | |
| SCHEMBL3247157 | 0.80 | CYP2A6 (0.43) | CYP11B1CYP11B2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL31598494 | 0.80 | MEN1 (0.44) | ALDH1A1NPC1MAPTKDM4ETSHR | |
| SCHEMBL8283777 | 0.77 | CYP1A2 (0.50) | CYP11B1CYP11B2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL29648993 | 0.76 | ADRA2A (0.50) | ALDH1A1NPC1MAPTTSHRHSD17B10 | |
| SCHEMBL28540727 | 0.72 | CYP2A6 (0.47) | CYP11B1CYP11B2CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL11641022 | 0.71 | NPC1 (0.48) | ALDH1A1NPC1MAPTKDM4EHTT | |
| SCHEMBL3869454 | 0.71 | KMT2A (0.41) | CYP1A2ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL10430601 | 0.71 | ADRA2A (0.44) | CYP3A4ALDH1A1NPC1MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104755471-A | Pyridine derivative and drug | NIPPON SHINYAKU CO LTD | 2015-07-01 | — | — | CN | disclosed |