Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 4/20 | 0.55 |
| ▸ | CCNC | P24863 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NPY1R | P25929 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NPY2R | P49146 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22319877 | 0.86 | CYP1A2 (0.55) | CDK8CCNCCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL22366337 | 0.81 | CDK8 (0.56) | CDK8CCNCCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL30209666 | 0.80 | HDAC8 (0.65) | CYP1A2CYP2D6ALDH1A1CYP1A1MAPT | |
| SCHEMBL1380736 | 0.80 | HDAC8 (0.65) | CYP1A2CYP2D6ALDH1A1CYP1A1MAPT | |
| SCHEMBL9433705 | 0.77 | CYP1A2 (0.46) | CDK8CYP1A2CYP2D6ALDH1A1CYP1A1 | |
| SCHEMBL11882678 | 0.76 | HTT (0.54) | CYP1A2CYP2D6ALDH1A1CYP1A1MAPT | |
| SCHEMBL844312 | 0.75 | CYP2D6 (0.53) | CYP1A2CYP2D6ALDH1A1CYP1A1MAPT | |
| SCHEMBL29935732 | 0.75 | CYP2D6 (0.53) | CYP1A2CYP2D6ALDH1A1CYP1A1MAPT | |
| SCHEMBL7464747 | 0.73 | KDM4E (0.54) | CYP1A2CYP2D6ALDH1A1MAPTLMNA | |
| SCHEMBL7464750 | 0.73 | KDM4E (0.54) | CYP1A2CYP2D6ALDH1A1MAPTLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046752-A1 | VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE | Pharmeste S.r.l. (IT) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008006481-A1 | VR1 VANILLOID RECEPTOR ANTAGONISTS WITH A IONONIC SUBSTRUCTURE | PHARMESTE S.R.L. (IT) | 2008-01-17 | — | — | WO | disclosed |