Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | TRPV2 | Q9Y5S1 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL8569562 | 0.94 | AVPR1A (0.37) | AVPR1ASIGMAR1FASNOPRM1KDM1A | |
| SCHEMBL3745717 | 0.92 | AVPR1A (0.40) | AVPR1ASIGMAR1FASNOPRM1KDM1A | |
| Hydrochloric Acid SCHEMBL4985671 | 0.90 | AVPR1A (0.39) | AVPR1ASIGMAR1FASNOPRM1KDM1A | |
| Hexane SCHEMBL8606727 | 0.82 | SIGMAR1 (0.48) | AVPR1ASIGMAR1 | |
| SCHEMBL1588901 | 0.81 | AVPR1A (0.38) | AVPR1ASIGMAR1OPRM1KDM1A | |
| SCHEMBL4046454 | 0.80 | SLC5A1 (0.37) | SIGMAR1HTR2A | |
| Pentane SCHEMBL8573177 | 0.79 | SIGMAR1 (0.48) | AVPR1ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL4984099 | 0.78 | SLC5A1 (0.37) | SIGMAR1HTR2A | |
| SCHEMBL16939880 | 0.76 | AVPR1A (0.36) | AVPR1A | |
| Butane SCHEMBL8604221 | 0.76 | SIGMAR1 (0.50) | 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 |