Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGCG | Q16739 | 1/20 | 0.49 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626316 | 0.85 | KMT2A (0.53) | GPR88ALDH1A1NPC1KMT2A | |
| SCHEMBL19354950 | 0.82 | UGCG (0.67) | UGCG | |
| SCHEMBL1088908 | 0.82 | UGCG (0.67) | UGCG | |
| SCHEMBL9015341 | 0.81 | UGCG (0.44) | UGCGGPR88ALDH1A1KMT2AKDM4E | |
| SCHEMBL27887837 | 0.77 | GPR88 (0.47) | UGCGGPR88ALDH1A1KMT2AROCK2 | |
| SCHEMBL14419803 | 0.77 | ACACB (0.49) | UGCGALDH1A1ACACBKDM4E | |
| SCHEMBL30079383 | 0.76 | ESR1 (0.47) | GPR88ALDH1A1KMT2AKDM4E | |
| SCHEMBL13626234 | 0.75 | GAA (0.57) | GPR88ALDH1A1KMT2AROCK2ROCK1 | |
| SCHEMBL13136011 | 0.74 | GPR88 (0.54) | UGCGGPR88ALDH1A1NPC1KMT2A | |
| SCHEMBL13626320 | 0.74 | GPR88 (0.54) | UGCGGPR88ALDH1A1NPC1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750216-B2 | HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS | ADOLOR CORPORATION | 2004-06-15 | — | — | US | claimed |