Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27985237 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL2972635 | 0.83 | HPGDS (0.51) | CPB2CYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL3273177 | 0.72 | CYP3A4 (0.50) | CPB2CYP3A4CYP2D6CYP2E1CYP2A6 | |
| Ethoxycarbonyl Group SCHEMBL27787505 | 0.71 | SIGMAR1 (0.60) | KDM4EALDH1A1NPC1MAPK1POLB | |
| SCHEMBL2970664 | 0.70 | CYP11B1 (0.50) | CPB2KLKB1ALDH1A1POLBMAPT | |
| SCHEMBL29136631 | 0.70 | CYP11B1 (0.53) | CPB2CYP3A4CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL2979842 | 0.70 | CDK5 (0.50) | CDK5CDK5R1KDM4CKDM5BKDM4E | |
| Aniline SCHEMBL28133746 | 0.69 | TSHR (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| Ethylbenzene SCHEMBL27309269 | 0.69 | TP53 (0.58) | KDM4EALDH1A1HPGDRECQLNPC1 | |
| 2-Aminopyridine SCHEMBL27810269 | 0.69 | NOS3 (0.55) | KDM4EALDH1A1HPGDNPC1RAB9A |
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-102241680-A | Compounds and compositions as inhibitors of cannabinoid receptor 1 activity | IRM LLC | 2011-11-16 | — | — | CN | disclosed |
| CN-101048408-B | Compounds and compositions as inhibitors of cannabinoid receptor 1 activity | IRM LLC | 2011-07-06 | — | — | CN | disclosed |
| CN-101454327-A | Azolopyrimidines as inhibitors of cannabinoid 1 activity | IRM LLC (BM) | 2009-06-10 | — | — | CN | disclosed |
| CN-101048408-A | Compounds and compositions as inhibitors of cannabinoid receptor 1 activity | IRM LLC (BM) | 2007-10-03 | — | — | CN | disclosed |