Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5517091 | 0.84 | KMT2A (0.52) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL16713400 | 0.84 | KMT2A (0.50) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL9537251 | 0.83 | KMT2A (0.42) | KMT2APOLBHTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL10767619 | 0.82 | L3MBTL1 (0.42) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL8473051 | 0.81 | PTGS2 (0.64) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL362211 | 0.81 | PTGS2 (0.64) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL7885098 | 0.81 | PTGS2 (0.64) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL27995420 | 0.81 | CYP2D6 (0.52) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL16672936 | 0.80 | KMT2A (0.47) | KMT2APOLBHTTNPSR1L3MBTL1 | |
| SCHEMBL4628923 | 0.79 | KMT2A (0.56) | KMT2APOLBHTTNPSR1L3MBTL1 |
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 |