Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | ESRRB | O95718 | 2/20 | 0.42 |
| ▸ | ESRRG | P62508 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PLD2 | O14939 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689760 | 1.00 | KDM4E (0.51) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5689433 | 0.89 | KCNH2 (0.46) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5689429 | 0.89 | KCNH2 (0.46) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5689617 | 0.89 | KCNH2 (0.46) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5689510 | 0.88 | CYP3A4 (0.45) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5689515 | 0.88 | CYP3A4 (0.45) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5690071 | 0.88 | KDM4E (0.49) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5690074 | 0.88 | KDM4E (0.49) | KDM4EHRH3CYP3A4CYP2C9KCNH2 | |
| SCHEMBL5690113 | 0.87 | CHRNB2 (0.44) | KDM4EMEN1ALDH1A1TP53MAPT | |
| SCHEMBL5690120 | 0.87 | CHRNB2 (0.44) | KDM4EMEN1ALDH1A1TP53MAPT |
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 |