Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | CNR1 | P21554 | 5/20 | 0.46 |
| ▸ | CNR2 | P34972 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11922690 | 0.89 | TSHR (0.52) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL5516804 | 0.86 | TSHR (0.48) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL2746338 | 0.82 | CNR2 (0.63) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL2747768 | 0.81 | TSHR (0.46) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL2746156 | 0.81 | CNR2 (0.51) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL2746371 | 0.81 | CNR1 (0.52) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL5519628 | 0.80 | TSHR (0.84) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL2745712 | 0.79 | TSHR (0.45) | TSHRALDH1A1KDM4ECNR1CNR2 | |
| SCHEMBL5510991 | 0.74 | CNR2 (0.74) | CNR1CNR2 | |
| SCHEMBL17629626 | 0.73 | EGLN1 (0.64) | CNR1CNR2EGLN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| 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 |