Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5690585 | 1.00 | KDM4E (0.44) | KDM4EMRGPRX4NPC1MAPK1RAB9A | |
| SCHEMBL5690074 | 0.89 | KDM4E (0.49) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5690071 | 0.89 | KDM4E (0.49) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5690106 | 0.88 | KDM4E (0.46) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5689665 | 0.88 | KDM4E (0.46) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5689670 | 0.88 | KDM4E (0.46) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5689857 | 0.87 | KDM4E (0.45) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5689775 | 0.87 | KDM4E (0.45) | KDM4EMRGPRX4KCNH2HRH3CYP3A4 | |
| SCHEMBL5689678 | 0.85 | KDM4E (0.45) | KDM4ESMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5689673 | 0.85 | KDM4E (0.45) | KDM4ESMN1; SMN2SLC6A2SLC6A4SLC6A3 |
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 |