Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 5/20 | 0.61 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.61 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL12127864 | 0.84 | SMN1; SMN2 (0.59) | EPHX2MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL23453358 | 0.83 | NPC1 (0.62) | MEN1KMT2ACYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL14679305 | 0.81 | CASR (0.59) | CA12CA2CA9MEN1KMT2A | |
| SCHEMBL20589556 | 0.81 | FPR2 (0.47) | EPHX2NAMPTCA12CA2CA9 | |
| SCHEMBL19818490 | 0.81 | RAB9A (0.60) | EPHX2NR1H4CA12CA2CA9 | |
| SCHEMBL13614142 | 0.81 | NAMPT (0.58) | EPHX2NR1H4NAMPTCA12CA2 | |
| SCHEMBL19964254 | 0.79 | EPHX2 (0.50) | EPHX2NR1H4CA2MEN1KMT2A | |
| SCHEMBL18026623 | 0.79 | HDAC3 (0.56) | NAMPTCA12CA2CA9MEN1 | |
| SCHEMBL3762312 | 0.78 | MEN1 (0.62) | EPHX2NR1H4NAMPTMEN1KMT2A | |
| SCHEMBL4745756 | 0.78 | EPHX2 (0.71) | EPHX2NR1H4CA12CA2CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |