Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29496195 | 1.00 | CYP2A6 (0.51) | CYP2A6BACE1NPC1HSP90AA1HSP90AB1 | |
| SCHEMBL28722905 | 0.83 | RAB9A (0.53) | BACE1NPC1CYP3A4CYP1A2CYP19A1 | |
| SCHEMBL29496146 | 0.83 | BACE1 (0.50) | CYP2A6BACE1NPC1HSP90AA1CYP3A4 | |
| SCHEMBL29496334 | 0.83 | RAB9A (0.53) | BACE1NPC1CYP3A4CYP1A2CYP19A1 | |
| SCHEMBL28722848 | 0.83 | BACE1 (0.50) | CYP2A6BACE1NPC1HSP90AA1CYP3A4 | |
| SCHEMBL15229057 | 0.82 | PARP1 (0.54) | BACE1NPC1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL1030196 | 0.80 | HSP90AA1 (0.54) | CYP2A6NPC1HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL19768555 | 0.79 | CYP3A4 (0.57) | CYP2A6NPC1HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL14884092 | 0.79 | NPC1 (0.59) | CYP2A6NPC1HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL28722873 | 0.79 | BACE1 (0.46) | BACE1NPC1HSP90AA1CYP3A4CYP1A2 |
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-114269730-A | 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists | 多曼治疗学公司 | 2022-04-01 | — | — | CN | disclosed |