Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5690205 | 1.00 | MRGPRX4 (0.50) | MRGPRX4ALOX5S1PR1PTGS1PTGS2 | |
| SCHEMBL6486622 | 0.88 | AGTR2 (0.47) | MAOBAGTR2 | |
| SCHEMBL6486620 | 0.88 | AGTR2 (0.47) | MAOBAGTR2 | |
| SCHEMBL5691624 | 0.83 | BCHE (0.49) | MRGPRX4ALOX5LTB4RLTB4R2BCHE | |
| SCHEMBL5691626 | 0.83 | BCHE (0.49) | MRGPRX4ALOX5LTB4RLTB4R2BCHE | |
| SCHEMBL5690183 | 0.81 | BCHE (0.50) | MRGPRX4ALOX5S1PR1BCHELTA4H | |
| SCHEMBL5690181 | 0.81 | BCHE (0.50) | MRGPRX4ALOX5S1PR1BCHELTA4H | |
| SCHEMBL6488483 | 0.78 | OPRM1 (0.40) | S1PR1 | |
| SCHEMBL6488479 | 0.78 | OPRM1 (0.40) | S1PR1 | |
| SCHEMBL5690171 | 0.78 | BCHE (0.47) | MRGPRX4ALOX5LTB4RLTB4R2BCHE |
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 |