Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.66 |
| ▸ | BACE1 | P56817 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158960 | 0.87 | CYP2D6 (0.73) | PTGS2CYP2D6AKR1C3AKR1C2 | |
| SCHEMBL66944 | 0.87 | CYP2D6 (0.73) | PTGS2CYP2D6AKR1C3AKR1C2 | |
| SCHEMBL193565 | 0.87 | CYP2D6 (0.73) | PTGS2CYP2D6AKR1C3AKR1C2 | |
| SCHEMBL29279091 | 0.86 | PTGS2 (0.63) | PTGS2BACE1CYP2D6CYP1A2GAA | |
| Hydrochloric Acid SCHEMBL10582883 | 0.85 | CYP2D6 (0.70) | PTGS2CYP2D6AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL10872012 | 0.85 | CYP2D6 (0.70) | PTGS2CYP2D6AKR1C3AKR1C2 | |
| SCHEMBL289164 | 0.85 | PTGS2 (0.61) | PTGS2BACE1CYP2D6CYP1A2GAA | |
| SCHEMBL5515246 | 0.82 | KMT2A (0.65) | PTGS2BACE1CYP1A2GAACYP2C9 | |
| SCHEMBL24894125 | 0.80 | PTGS2 (0.56) | PTGS2BACE1CYP2D6CYP1A2GAA | |
| SCHEMBL24894120 | 0.80 | PTGS2 (0.56) | PTGS2BACE1CYP2D6CYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |