Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5202615 | 0.90 | ALDH1A1 (0.43) | TRPA1ALDH1A1LMNA | |
| SCHEMBL5203380 | 0.88 | HDAC4 (0.42) | TRPA1SMN1; SMN2HTTSLC6A2SLC6A4 | |
| SCHEMBL5200440 | 0.86 | ALDH1A1 (0.48) | TRPA1SMN1; SMN2ALDH1A1HTTHDAC4 | |
| SCHEMBL5201238 | 0.82 | ITGB1 (0.45) | SMN1; SMN2ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5262774 | 0.80 | SLC6A9 (0.54) | SMN1; SMN2SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL5205537 | 0.80 | HDAC4 (0.42) | TRPA1SMN1; SMN2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL4963420 | 0.79 | TRPA1 (0.52) | TRPA1SMN1; SMN2ALDH1A1HTTHDAC4 | |
| SCHEMBL4963409 | 0.79 | TRPA1 (0.52) | TRPA1SMN1; SMN2ALDH1A1HTTHDAC4 | |
| SCHEMBL4965217 | 0.79 | SMN1; SMN2 (0.54) | TRPA1SMN1; SMN2ALDH1A1HTTHDAC4 | |
| SCHEMBL4830008 | 0.77 | CNR1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490043-A4 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-05-30 | — | — | EP | claimed |
| EP-1490043-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | claimed |
| WO-2003082190-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | claimed |