Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA4 | P22748 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3146259 | 1.00 | CA1 (0.45) | CA1CA2CA4KMT2ACA6 | |
| SCHEMBL14228794 | 0.98 | KMT2A (0.47) | CA1CA2CA4KMT2ACA6 | |
| Hydrochloric Acid SCHEMBL3120247 | 0.98 | CA1 (0.43) | CA1CA2CA4KMT2ACA6 | |
| Hydrochloric Acid SCHEMBL28863686 | 0.98 | CA1 (0.43) | CA1CA2CA4KMT2ACA6 | |
| SCHEMBL4631860 | 0.98 | KMT2A (0.47) | CA1CA2CA4KMT2ACA6 | |
| SCHEMBL4631229 | 0.98 | KMT2A (0.47) | CA1CA2CA4KMT2ACA6 | |
| SCHEMBL6865770 | 0.94 | HTR6 (0.39) | CA1CA2CA4KMT2ANPC1 | |
| SCHEMBL4631245 | 0.94 | HTR6 (0.39) | CA1CA2CA4KMT2ANPC1 | |
| SCHEMBL13948191 | 0.86 | CA1 (0.41) | CA1CA2CA4KMT2ACA6 | |
| SCHEMBL13899831 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069106-B1 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | GRUENENTHAL GMBH (DE) | 2004-01-28 | — | — | EP | disclosed |
| EP-0799819-B1 | 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity | GRUENENTHAL GMBH (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1069106-A2 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | Grünenthal GmbH (DE) | 2001-01-17 | — | — | EP | disclosed |
| EP-0983994-A2 | Pharmaceutically-active dimethyl-(3-aryl-but-3-enyl)-amine compounds | Grünenthal GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| US-5811582-A | ANALGESICS | GRUENENTHAL GMBH (DE) | 1998-09-22 | — | — | US | disclosed |
| EP-0799819-A1 | Dimethyl-(3-aryl-but-3-enyl) amine derivatives with analgesic activity | Grünenthal GmbH (DE) | 1997-10-08 | — | — | EP | disclosed |