Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL5689678 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1NPSR1ESR2SLC6A2 | |
| SCHEMBL5690583 | 0.85 | KDM4E (0.44) | KDM4EALDH1A1NPSR1SLC6A2SLC6A4 | |
| SCHEMBL5690585 | 0.85 | KDM4E (0.44) | KDM4EALDH1A1NPSR1SLC6A2SLC6A4 | |
| SCHEMBL5689760 | 0.84 | KDM4E (0.51) | KDM4EALDH1A1NPSR1ESR2ESR1 | |
| SCHEMBL5689763 | 0.84 | KDM4E (0.51) | KDM4EALDH1A1NPSR1ESR2ESR1 | |
| SCHEMBL5689617 | 0.81 | KCNH2 (0.46) | KDM4EESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL5689429 | 0.81 | KCNH2 (0.46) | KDM4EESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL5689433 | 0.81 | KCNH2 (0.46) | KDM4EESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL5689510 | 0.80 | CYP3A4 (0.45) | KDM4EESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL5689515 | 0.80 | CYP3A4 (0.45) | KDM4EESR2ESR1CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982026-B1 | Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-6184236-B1 | Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative | HOFFMANN-LA ROCHE INC. | 2001-02-06 | — | — | US | disclosed |
| EP-0982026-A2 | Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2000-03-01 | — | — | EP | disclosed |