Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 10/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689793 | 1.00 | GRIN2B (0.65) | GRIN2BSIGMAR1GRIN1BCHEACHE | |
| SCHEMBL5689790 | 1.00 | GRIN2B (0.65) | GRIN2BSIGMAR1GRIN1BCHEACHE | |
| SCHEMBL5689576 | 0.84 | GRIN2B (0.65) | GRIN2BSIGMAR1GRIN1SPHK1MEN1 | |
| SCHEMBL5689642 | 0.84 | GRIN2B (0.65) | GRIN2BSIGMAR1GRIN1SPHK1MEN1 | |
| SCHEMBL5689574 | 0.84 | GRIN2B (0.65) | GRIN2BSIGMAR1GRIN1SPHK1MEN1 | |
| SCHEMBL5689598 | 0.81 | GRIN2B (0.57) | GRIN2BSIGMAR1GRIN1SPHK1 | |
| SCHEMBL5689596 | 0.81 | GRIN2B (0.57) | GRIN2BSIGMAR1GRIN1SPHK1 | |
| SCHEMBL5689946 | 0.81 | GRIN2B (0.61) | GRIN2BSIGMAR1GRIN1SPHK1 | |
| SCHEMBL5689944 | 0.81 | GRIN2B (0.61) | GRIN2BSIGMAR1GRIN1SPHK1 | |
| SCHEMBL5690203 | 0.81 | GRIN2B (0.61) | GRIN2BSIGMAR1GRIN1SPHK1 |
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 |