Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13499189 | 0.95 | HRH3 (0.55) | HRH3HRH4ALDH1A1KDM4ECXCR4 | |
| SCHEMBL8219730 | 0.82 | SMN1; SMN2 (0.50) | HRH3ALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL8212158 | 0.81 | PRMT6 (0.49) | ALDH1A1KDM4ECYP2D6CYP2C19TDP1 | |
| SCHEMBL13499190 | 0.79 | SMN1; SMN2 (0.49) | HRH3ALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL8221503 | 0.78 | PRMT6 (0.45) | ALDH1A1KDM4ECYP2D6CYP2C19MEN1 | |
| SCHEMBL5802040 | 0.76 | HRH3 (0.44) | HRH3HRH4ALDH1A1KDM4ECXCR4 | |
| SCHEMBL13577677 | 0.76 | HRH3 (0.69) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL4277270 | 0.75 | HRH3 (1.00) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL1936159 | 0.75 | CXCR4 (0.57) | HRH3HRH4ALDH1A1KDM4ECXCR4 | |
| SCHEMBL7319627 | 0.75 | HRH3 (0.67) | HRH3HRH4ALDH1A1KDM4ECYP2D6 |
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-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 |
| 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 |