Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 8/20 | 0.44 |
| ▸ | CNR2 | P34972 | 8/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3479342 | 0.78 | CNR1 (0.70) | NPSR1CYP1A2CYP2C9CYP2C19CNR1 | |
| SCHEMBL23234817 | 0.74 | NPSR1 (0.54) | NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL21530997 | 0.74 | KHK (0.49) | NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL31745211 | 0.74 | KHK (0.49) | NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL8778840 | 0.73 | KHK (0.48) | NPSR1CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL3291080 | 0.71 | DPP4 (0.53) | L3MBTL1CNR1CNR2ARGAA | |
| SCHEMBL30251471 | 0.71 | HSP90AA1 (0.44) | KMT2ACNR1CNR2GAAMYC | |
| SCHEMBL29256315 | 0.71 | HSP90AA1 (0.44) | KMT2ACNR1CNR2GAAMYC | |
| SCHEMBL23234736 | 0.71 | NPSR1 (0.47) | NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6714815 | 0.70 | L3MBTL1 (0.64) | L3MBTL1LMNAHPGDKMT2ACNR1 |
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-2139333-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008118414-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-10-02 | — | — | WO | disclosed |