Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
| ▸ | ESRRB | O95718 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5516974 | 1.00 | ESR1 (0.57) | ESR1ESR2KMT2APDCD1CD274 | |
| SCHEMBL2422613 | 1.00 | ESR1 (0.57) | ESR1ESR2KMT2APDCD1CD274 | |
| SCHEMBL8984177 | 0.85 | KMT2A (0.55) | ESR1ESR2KMT2AFFAR2AKR1C3 | |
| SCHEMBL22838087 | 0.85 | KMT2A (0.55) | ESR1ESR2KMT2AFFAR2AKR1C3 | |
| SCHEMBL17084124 | 0.85 | KMT2A (0.55) | ESR1ESR2KMT2AFFAR2AKR1C3 | |
| SCHEMBL28079432 | 0.84 | KMT2A (0.50) | ESR1ESR2KMT2APDCD1CD274 | |
| SCHEMBL9908240 | 0.83 | KMT2A (0.53) | ESR1ESR2KMT2ACA12CA7 | |
| SCHEMBL5317090 | 0.83 | AKR1C3 (0.54) | KMT2ACA1CA2AKR1C3AKR1C2 | |
| SCHEMBL2423106 | 0.83 | FFAR2 (0.64) | KMT2AFFAR2 | |
| SCHEMBL1885337 | 0.83 | KMT2A (0.58) | ESR1ESR2KMT2AFFAR2 |
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-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 |