Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.51 |
| ▸ | CCR5 | P51681 | 7/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
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 SCHEMBL9471344 | 0.99 | SIGMAR1 (0.50) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9470908 | 0.88 | CCR5 (0.56) | CCR5BCHEACHEOPRM1 | |
| Hydrochloric Acid SCHEMBL9470905 | 0.87 | ALDH1A1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL9471706 | 0.86 | SIGMAR1 (0.40) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| SCHEMBL7339644 | 0.86 | SIGMAR1 (0.40) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| SCHEMBL7329236 | 0.86 | CCR5 (0.46) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9471306 | 0.85 | SIGMAR1 (0.39) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9471429 | 0.85 | SIGMAR1 (0.39) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| SCHEMBL9471797 | 0.85 | CCR5 (0.41) | SIGMAR1CCR5HTR2AHTR2CHTR2B | |
| SCHEMBL7331583 | 0.85 | LSS (0.44) | SIGMAR1CCR5HTR2AHTR2CHTR2B |
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 |