Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3390800 | 0.81 | CYP2A6 (0.48) | CYP2A6CCR5HTR2ATRPM8ALDH1A1 | |
| SCHEMBL1581581 | 0.81 | CSNK2A1 (0.47) | CSNK2A1PYCR1ALDH1A1HPGDNOS3 | |
| SCHEMBL5825 | 0.78 | CSNK2A1 (0.49) | CSNK2A1PYCR1 | |
| SCHEMBL29609415 | 0.78 | CSNK2A1 (0.49) | CSNK2A1PYCR1 | |
| SCHEMBL1758970 | 0.78 | CSNK2A1 (0.49) | CSNK2A1CYP2A6ALDH1A1 | |
| SCHEMBL11976907 | 0.78 | CSNK2A1 (0.49) | CSNK2A1CYP2A6PYCR1BACE1ALDH1A1 | |
| SCHEMBL20561966 | 0.78 | CSNK2A1 (0.45) | CSNK2A1PYCR1ALDH1A1HPGDNOS3 | |
| SCHEMBL28856582 | 0.78 | CSNK2A1 (0.51) | CSNK2A1CYP2A6PYCR1ALDH1A1HPGD | |
| SCHEMBL2112768 | 0.78 | CSNK2A1 (0.51) | CSNK2A1CYP2A6PYCR1BACE1ALDH1A1 | |
| SCHEMBL4574084 | 0.77 | CYP2A6 (0.47) | CYP2A6HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101094827-B | Benzene compound having two or more substituents | DAIICHI SANKYO CO LTD | 2012-06-13 | — | — | CN | disclosed |
| CN-101792436-A | Benzimidazole derivatives used in the treatment of diseases associated with vanilloid receptor 1 | ASTRAZENECA R & D SODERTALJE | 2010-08-04 | — | — | CN | disclosed |
| CN-101522637-A | Benzimidazole derivatives useful for the treatment of vanilloid receptor 1-related disorders | ASTRAZENECA AB (SE) | 2009-09-02 | — | — | CN | disclosed |
| CN-101094827-A | Benzene compound having two or more substituents | SANKYO CO (JP) | 2007-12-26 | — | — | CN | disclosed |