Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8569764 | 0.94 | AVPR1A (0.36) | AVPR1ASIGMAR1FASNKDM1AOPRM1 | |
| SCHEMBL3745717 | 0.94 | AVPR1A (0.40) | AVPR1ASIGMAR1FASNKDM1AOPRM1 | |
| Hydrochloric Acid SCHEMBL4985671 | 0.93 | AVPR1A (0.39) | AVPR1ASIGMAR1FASNKDM1AOPRM1 | |
| SCHEMBL1588901 | 0.83 | AVPR1A (0.38) | AVPR1ASIGMAR1KDM1AOPRM1 | |
| SCHEMBL4046454 | 0.82 | SLC5A1 (0.37) | SIGMAR1 | |
| Butane SCHEMBL8604221 | 0.81 | SIGMAR1 (0.50) | AVPR1ASIGMAR1OPRM1 | |
| Hydrochloric Acid SCHEMBL4984099 | 0.81 | SLC5A1 (0.37) | SIGMAR1 | |
| SCHEMBL16939880 | 0.79 | AVPR1A (0.36) | AVPR1A | |
| Butane SCHEMBL8575686 | 0.77 | HTR2C (0.39) | AVPR1AKDM1A | |
| Propane SCHEMBL8890366 | 0.76 | SIGMAR1 (0.51) | AVPR1ASIGMAR1OPRM1 |
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-5837707-A | USEFUL IN TREATING ANXIETY, PSYCHOSIS, EPILEPSY, CONVULSIONS, AMNESIA, PARKINSON'S DISEASE | H. LUNDBECK A/S (DK) | 1998-11-17 | — | — | US | disclosed |