Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 5/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL619660 | 0.97 | KDM1A (0.36) | KDM1AIDO1KDM1BBACE1HTR2B | |
| SCHEMBL4420243 | 0.82 | HDAC3 (0.39) | IDO1TRPV1LMNA | |
| SCHEMBL13499163 | 0.82 | HDAC3 (0.39) | IDO1TRPV1LMNA | |
| SCHEMBL4350339 | 0.82 | KDM4E (0.48) | KDM4EHTR2BHTTATMTRPV1 | |
| SCHEMBL3794790 | 0.82 | KDM1A (0.37) | KDM1AKDM4EHTTATMTRPV1 | |
| SCHEMBL3801092 | 0.81 | KDM4E (0.36) | KDM1AKDM4EHTR2BHTTATM | |
| Hydrochloric Acid SCHEMBL6558690 | 0.81 | TRPV1 (0.40) | KDM1AKDM1BHTR2BTRPV1 | |
| Hydrochloric Acid SCHEMBL21979441 | 0.80 | IDO1 (0.45) | IDO1BACE1 | |
| Hydrochloric Acid SCHEMBL6559908 | 0.79 | TRPV1 (0.39) | KDM1AKDM1BTRPV1 | |
| SCHEMBL619444 | 0.79 | HDAC3 (0.39) | IDO1LMNA |
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 |