Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
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 SCHEMBL7883839 | 0.99 | SIGMAR1 (0.51) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL17767881 | 0.85 | SIGMAR1 (0.49) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL17767869 | 0.82 | SIGMAR1 (0.53) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL17767849 | 0.78 | OPRL1 (0.47) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL2993642 | 0.77 | OPRL1 (0.55) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL9495770 | 0.75 | MCHR1 (0.65) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL6777379 | 0.74 | SIGMAR1 (0.60) | SIGMAR1OPRL1CYP3A4HSD17B10MEN1 | |
| SCHEMBL2990811 | 0.74 | MEN1 (0.51) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL3004252 | 0.74 | SIGMAR1 (0.47) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL17767893 | 0.74 | DRD2 (0.54) | SIGMAR1OPRM1OPRL1OPRD1OPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970957-B1 | Diaza-spiro[3,5] nonane derivatives | HOFFMANN LA ROCHE (CH) | 2001-08-16 | — | — | EP | disclosed |
| US-6113527-A | 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970957-A1 | Diaza-spiro[3,5] nonane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-12 | — | — | EP | disclosed |