Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | XIAP | P98170 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL907463 | 0.80 | ADRB3 (0.35) | SMN1; SMN2ADRB3ALDH1A1HTTFABP4 | |
| SCHEMBL2606442 | 0.77 | ADRB3 (0.42) | SMN1; SMN2ADRB3HTTRAB9A | |
| Hydrochloric Acid SCHEMBL25428583 | 0.76 | ADRB3 (0.42) | SMN1; SMN2ADRB3HTTRAB9A | |
| SCHEMBL3157695 | 0.71 | XIAP (0.49) | ADRB3XIAPALDH1A1 | |
| SCHEMBL1155493 | 0.70 | ADRB3 (0.41) | ADRB3XIAPALDH1A1HTT | |
| SCHEMBL3172964 | 0.70 | PARP1 (0.47) | SMN1; SMN2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL3536953 | 0.70 | XIAP (0.36) | SMN1; SMN2ADRB3XIAPALDH1A1HTT | |
| Formic Acid SCHEMBL3598996 | 0.69 | XIAP (0.36) | ADRB3XIAP | |
| SCHEMBL1199944 | 0.69 | TSHR (0.43) | SMN1; SMN2XIAPNPC1RAB9A | |
| SCHEMBL3163684 | 0.69 | MAPT (0.41) | SMN1; SMN2ALDH1A1NPC1RAB9A |
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 4 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 |
| 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 |