Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29624259 | 0.84 | CES2 (0.47) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL11512104 | 0.82 | NPSR1 (0.42) | ALDH1A1HPGDHSD17B10NPC1RAB9A | |
| SCHEMBL3597003 | 0.82 | SMN1; SMN2 (0.46) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL11844084 | 0.80 | NR1H3 (0.50) | CES2CES1SRD5A2KIF11ALDH1A1 | |
| SCHEMBL30545011 | 0.79 | CES2 (0.42) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL2097683 | 0.78 | NPSR1 (0.48) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL28576859 | 0.78 | KIF11 (0.42) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL28191917 | 0.78 | KIF11 (0.41) | CES2CES1EPHX2KIF11ALDH1A1 | |
| SCHEMBL3674076 | 0.78 | CES2 (0.48) | CES2CES1SRD5A2EPHX2KIF11 | |
| SCHEMBL28102660 | 0.78 | CES2 (0.48) | CES2CES1SRD5A2EPHX2KIF11 |
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-2334646-A2 | SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS | Abbott Laboratories (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010033543-A2 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2010-03-25 | — | — | WO | disclosed |