Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2746099 | 0.84 | ECE1 (0.33) | POLBECE1ALDH1A1SMN1; SMN2MAOA | |
| SCHEMBL16316312 | 0.80 | POLB (0.50) | POLBCA1CA2CA7CA14 | |
| SCHEMBL2861129 | 0.79 | POLB (0.47) | POLBKDM4EECE1DRD4DRD2 | |
| SCHEMBL684805 | 0.79 | POLB (0.43) | POLBCA1CA2CA7CA14 | |
| SCHEMBL16185833 | 0.79 | POLB (0.43) | POLBCA1CA2CA7CA14 | |
| SCHEMBL19169704 | 0.78 | CNR1 (0.34) | ECE1 | |
| SCHEMBL19176795 | 0.78 | DRD2 (0.40) | TP53ALDH1A1DRD4DRD2MEN1 | |
| SCHEMBL7771469 | 0.77 | ALDH1A1 (0.60) | POLBCA2CA7CA14ALDH1A1 | |
| SCHEMBL7770037 | 0.77 | LMNA (0.40) | POLBECE1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5544499 | 0.76 | MAOA (0.38) | POLBCA1CA2CA7CA14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |