Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 3/20 | 0.39 |
| ▸ | F2R | P25116 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3925476 | 0.86 | MAOA (0.42) | PTGDR2MAOAMAOBACHEHTR4 | |
| Hydrochloric Acid SCHEMBL30468019 | 0.84 | MAOA (0.41) | PTGDR2MAOAMAOBACHEHTR4 | |
| SCHEMBL30468068 | 0.83 | PTGDR2 (0.56) | PTGDR2MAOAMAOBALPLEPHX2 | |
| SCHEMBL15884099 | 0.83 | PTGDR2 (0.56) | PTGDR2MAOAMAOBALPLEPHX2 | |
| SCHEMBL937129 | 0.82 | LMNA (0.47) | PTGDR2 | |
| SCHEMBL29746555 | 0.82 | KDM4E (0.50) | PTGDR2MAOAMAOBALPLEPHX2 | |
| SCHEMBL2711853 | 0.82 | KDM4E (0.50) | PTGDR2MAOAMAOBALPLEPHX2 | |
| SCHEMBL28758200 | 0.82 | ANO1 (0.45) | ALPL | |
| SCHEMBL15884087 | 0.82 | NPSR1 (0.40) | PTGDR2MAOAMAOBACHEALPL | |
| SCHEMBL20855483 | 0.81 | HMGCR (0.53) | PTGDR2ACHEHTR4HMGCR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100395234-C | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2008-06-18 | — | — | CN | disclosed |
| CN-101012193-A | Novel CB 1 receptour inverse agonists | HOFFMANN LA ROCHE (CH) | 2007-08-08 | — | — | CN | disclosed |
| CN-1735593-A | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2006-02-15 | — | — | CN | disclosed |