Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2957806 | 0.92 | PARP1 (0.60) | HDAC2HDAC8HDAC6HDAC1MAPT | |
| SCHEMBL26393844 | 0.90 | SMN1; SMN2 (0.63) | HDAC2HDAC8HDAC6HDAC1SMN1; SMN2 | |
| SCHEMBL2956584 | 0.85 | PARP1 (0.55) | HDAC2HDAC8HDAC6HDAC1ALDH1A1 | |
| SCHEMBL12009652 | 0.85 | PARP1 (0.55) | HDAC2HDAC8HDAC6HDAC1ALDH1A1 | |
| SCHEMBL12009650 | 0.85 | PARP1 (0.55) | HDAC2HDAC8HDAC6HDAC1ALDH1A1 | |
| SCHEMBL12009653 | 0.85 | PARP1 (0.55) | HDAC2HDAC8HDAC6HDAC1ALDH1A1 | |
| SCHEMBL2947474 | 0.85 | PARP1 (0.55) | HDAC2HDAC8HDAC6HDAC1ALDH1A1 | |
| SCHEMBL12714254 | 0.84 | CYP3A4 (0.55) | HDAC1GAAPARP1PARP3KMT2A | |
| SCHEMBL6138237 | 0.83 | HDAC2 (0.56) | HDAC2HDAC8HDAC6HDAC1MAPT | |
| SCHEMBL12009636 | 0.80 | HPGD (0.68) | HDAC2HDAC8HDAC6SMN1; SMN2HDAC3 |
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 5 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 |
| CN-1141936-C | Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system | - | 2004-03-17 | — | — | CN | 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 |
| CN-1248439-A | Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system | HOFFMAN LA ROCHE & CO AKTEINGE (DE) | 2000-03-29 | — | — | CN | 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 |