Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.31 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9642950 | 0.84 | PKM (0.35) | PKMALDH1A1HPGDTSHRNPC1 | |
| SCHEMBL9644275 | 0.83 | PKM (0.34) | PKMALDH1A1HPGDTSHRTARBP2 | |
| SCHEMBL9644034 | 0.83 | ALDH1A1 (0.37) | PKMALDH1A1HPGDTSHRNPC1 | |
| SCHEMBL9644938 | 0.81 | PKM (0.33) | PKMALDH1A1HPGDTSHRNPC1 | |
| SCHEMBL5517320 | 0.81 | GABRR1 (0.36) | AKR1B1ALDH1A1GABRR1NPC1GAA | |
| SCHEMBL9644069 | 0.80 | SMN1; SMN2 (0.34) | PKMALDH1A1HPGDTSHRNPC1 | |
| SCHEMBL5521343 | 0.79 | GCK (0.36) | AKR1B1ALDH1A1GABRR1NPC1GAA | |
| SCHEMBL5517237 | 0.79 | PTGDR2 (0.36) | AKR1B1ALDH1A1GABRR1MAPTPOLB | |
| SCHEMBL9644916 | 0.79 | GABRP (0.40) | PKMALDH1A1TSHRNPC1MAPT | |
| SCHEMBL14215474 | 0.77 | ALDH1A1 (0.40) | PKMALDH1A1HPGDTSHRGABRR1 |
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 |