Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4524080 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL4524083 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL5407348 | 0.84 | BDKRB1 (0.43) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL1725049 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL13936477 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL1725050 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL3537141 | 0.83 | CFD (0.49) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL3532767 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL3537138 | 0.83 | CFD (0.49) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 | |
| SCHEMBL3532766 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1 |
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-7662811-B2 | N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases | AMGEN INC. (US) | 2010-02-16 | — | — | US | disclosed |