Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10245795 | 0.88 | CYP2A6 (0.52) | CYP2A6AKR1B1METCHRNA7KDM4E | |
| SCHEMBL7021081 | 0.75 | CYP2A6 (0.68) | CYP2A6AKR1B1METMAPTALDH1A1 | |
| SCHEMBL6978499 | 0.72 | RAB9A (0.43) | KDM4EALDH1A1CASP6SMN1; SMN2NPC1 | |
| SCHEMBL2175943 | 0.72 | CYP2A6 (0.63) | CYP2A6AKR1B1METCHRNA7KDM4E | |
| Methylethylamine SCHEMBL25352737 | 0.69 | CYP2A6 (0.72) | CYP2A6AKR1B1METKDM4EMAPT | |
| SCHEMBL10469274 | 0.69 | CYP2A6 (0.59) | CYP2A6AKR1B1METMAPTNPC1 | |
| SCHEMBL10423641 | 0.69 | CYP2A6 (0.63) | CYP2A6AKR1B1METKDM4EMAPT | |
| SCHEMBL2174717 | 0.69 | CYP2A6 (0.63) | CYP2A6AKR1B1METKDM4EMAPT | |
| SCHEMBL31207840 | 0.69 | KDM4E (0.48) | CYP2A6CHRNA7KDM4EMAPTNPSR1 | |
| SCHEMBL10245531 | 0.69 | KDM4E (0.48) | CYP2A6CHRNA7KDM4EMAPTNPSR1 |
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-2029614-B1 | COLD MENTHOL RECEPTOR-1 ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2013-01-23 | — | — | EP | disclosed |