Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689681 | 1.00 | GRIN2B (0.45) | GRIN2BSOS1MPOKDM4EALDH1A1 | |
| SCHEMBL5691602 | 0.85 | SOS1 (0.43) | SOS1MPOALDH1A1SMN1; SMN2ESR2 | |
| SCHEMBL5691598 | 0.85 | SOS1 (0.43) | SOS1MPOALDH1A1SMN1; SMN2ESR2 | |
| SCHEMBL5690064 | 0.85 | KDM4E (0.49) | GRIN2BKDM4ESMN1; SMN2CYP2C9GRIN1 | |
| SCHEMBL5690073 | 0.85 | KDM4E (0.49) | GRIN2BKDM4ESMN1; SMN2CYP2C9GRIN1 | |
| SCHEMBL5690067 | 0.85 | KDM4E (0.49) | GRIN2BKDM4ESMN1; SMN2CYP2C9GRIN1 | |
| SCHEMBL5689744 | 0.78 | GRIN2B (0.55) | GRIN2B | |
| SCHEMBL5691767 | 0.78 | GRIN2B (0.55) | GRIN2B | |
| SCHEMBL5689748 | 0.78 | GRIN2B (0.55) | GRIN2B | |
| SCHEMBL7055707 | 0.77 | KDM4E (0.62) | KDM4E |
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 |