Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | PTPRC | P08575 | 3/20 | 0.49 |
| ▸ | S100A4 | P26447 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27469223 | 0.91 | PTPRC (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL28062494 | 0.90 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL6928669 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL7465165 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A | |
| SCHEMBL29711937 | 0.77 | GPR3 (0.41) | CYP1A2CYP2D6S100A4LMNATSHR | |
| SCHEMBL224931 | 0.77 | GPR3 (0.41) | CYP1A2CYP2D6S100A4LMNATSHR | |
| Hydrochloric Acid SCHEMBL27768859 | 0.75 | GPR3 (0.39) | CYP1A2CYP2D6TSHRGPR3ALDH1A1 | |
| SCHEMBL27818816 | 0.75 | GPR3 (0.39) | CYP1A2CYP2D6TSHRGPR3ALDH1A1 | |
| SCHEMBL27405248 | 0.75 | S100A4 (0.49) | PTPRCS100A4ACHEMAPTLMNA | |
| SCHEMBL15617716 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19HIF1A |
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-1104412-A | Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients | OTSUKA PHARMA CO LTD (JP) | 1995-06-28 | — | — | CN | disclosed |