Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.34 |
| ▸ | AGBL2 | Q5U5Z8 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5518909 | 0.81 | PKM (0.34) | GABRR1GAAKDM4EAKR1B1ALDH1A1 | |
| SCHEMBL5517237 | 0.81 | PTGDR2 (0.36) | GABRR1KDM4EAKR1B1ALDH1A1MAPT | |
| SCHEMBL5521343 | 0.81 | GCK (0.36) | GABRR1GAAAKR1B1ALDH1A1NPC1 | |
| SCHEMBL4093001 | 0.79 | GABRR1 (0.39) | GABRR1GAAKDM4EAGBL2CTSA | |
| SCHEMBL10130052 | 0.77 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL855931 | 0.77 | SLC6A3 (0.41) | GABRR1GAAKDM4EAGBL2ALDH1A1 | |
| SCHEMBL5513251 | 0.77 | AKR1B1 (0.32) | AKR1B1 | |
| SCHEMBL5516134 | 0.75 | PTGDR2 (0.40) | GAAKDM4EALDH1A1MAPTPTGDR2 | |
| SCHEMBL17480641 | 0.75 | PTPRB (0.30) | — | |
| SCHEMBL5514684 | 0.74 | KDM4E (0.49) | GAAKDM4EAKR1B1ALDH1A1MAPT |
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 |