Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7500612 | 0.82 | HTT (0.34) | SLC6A2SLC6A4KMT2ASLC6A3ALDH1A1 | |
| SCHEMBL7493966 | 0.82 | KMT2A (0.36) | CHRM3SLC6A2SLC6A4KMT2ASLC6A3 | |
| SCHEMBL7493957 | 0.82 | KMT2A (0.36) | CHRM3SLC6A2SLC6A4KMT2ASLC6A3 | |
| SCHEMBL7499837 | 0.82 | KMT2A (0.36) | CHRM3SLC6A2SLC6A4KMT2ASLC6A3 | |
| SCHEMBL7491286 | 0.81 | ALDH1A1 (0.40) | CHRM2CHRM3OPRM1OPRD1OPRK1 | |
| SCHEMBL7533916 | 0.81 | HTR6 (0.38) | CACNA2D1KMT2AALDH1A1 | |
| SCHEMBL7497433 | 0.80 | KMT2A (0.35) | SLC6A2SLC6A4KMT2ASLC6A3OPRM1 | |
| SCHEMBL7966504 | 0.79 | KMT2A (0.34) | SLC6A2SLC6A4KMT2ASLC6A3 | |
| SCHEMBL7528853 | 0.77 | POLB (0.43) | SLC6A2SLC6A4MEN1KMT2ASLC6A3 | |
| SCHEMBL7499041 | 0.76 | OPRM1 (0.45) | CACNA2D1CHRM2CHRM3MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002069895-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF | SEPRACOR, INC. (US) | 2002-09-12 | — | — | WO | disclosed |
| EP-1187810-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE | SEPRACOR, INC. (US) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001092226-A1 | HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF | SEPRACOR, INC. (US) | 2001-12-06 | — | — | WO | disclosed |
| WO-2000071518-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE | SEPRACOR, INC. (US) | 2000-11-30 | — | — | WO | disclosed |