Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9471166 | 0.99 | CCR5 (0.45) | CCR5OPRM1CHRM2CHRM3BCHE | |
| SCHEMBL7337433 | 0.90 | CCR5 (0.46) | CCR5OPRM1CHRM3BCHEACHE | |
| Hydrochloric Acid SCHEMBL9471935 | 0.89 | CCR5 (0.46) | CCR5OPRM1CHRM3BCHEACHE | |
| SCHEMBL7279758 | 0.88 | OPRM1 (0.51) | CCR5OPRM1CHRM2CHRM3SIGMAR1 | |
| SCHEMBL7271112 | 0.88 | OPRM1 (0.46) | CCR5OPRM1CHRM2CHRM3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9472058 | 0.87 | OPRM1 (0.45) | CCR5OPRM1CHRM2CHRM3SIGMAR1 | |
| SCHEMBL7329236 | 0.87 | CCR5 (0.46) | CCR5OPRM1CHRM2CHRM3BCHE | |
| Hydrochloric Acid SCHEMBL9470908 | 0.85 | CCR5 (0.56) | CCR5OPRM1BCHEACHE | |
| SCHEMBL9653759 | 0.81 | OPRM1 (0.65) | CCR5OPRM1CHRM2CHRM3BCHE | |
| Hydrochloric Acid SCHEMBL9470905 | 0.80 | ALDH1A1 (0.43) | OPRM1BCHEACHESIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457686-B1 | Novel aminopiperidine, aminopyrrolidine and aminoperhydroazepine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1994-08-03 | — | — | EP | claimed |
| US-5189045-A | Antiserotonine agent | ADIR ET COMPAGNIE (FR) | 1993-02-23 | — | — | US | claimed |