Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 4/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224759 | 0.92 | CYP1A2 (0.48) | CYP1A2CYP2D6HTR7HTR1AMAPT | |
| SCHEMBL5223033 | 0.91 | MEN1 (0.47) | CYP1A2CYP2D6HTR7HTR1AMAPT | |
| SCHEMBL6256607 | 0.84 | CYP2D6 (0.47) | CYP2D6HTR7HTR1AMAPTMAPK1 | |
| SCHEMBL6186218 | 0.80 | CACNA1G (0.52) | HTR7MAPTNPSR1TDP1MEN1 | |
| SCHEMBL4865613 | 0.80 | TSHR (0.48) | CYP1A2CYP2D6HTR7HTR1AMAPT | |
| SCHEMBL4858627 | 0.78 | CYP2D6 (0.48) | CYP1A2CYP2D6HTR7HTR1AMAPT | |
| SCHEMBL6261178 | 0.75 | MEN1 (0.47) | CYP2D6HTR7MAPTMAPK1TDP1 | |
| SCHEMBL5228642 | 0.74 | CYP1A2 (0.47) | CYP1A2 | |
| SCHEMBL5223079 | 0.74 | CYP2D6 (0.48) | CYP2D6MAPTMAPK1TDP1MEN1 | |
| SCHEMBL5221069 | 0.73 | MEN1 (0.49) | CYP1A2CYP2D6HTR7HTR1AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |