Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9340819 | 0.81 | APP (0.40) | CYP3A4CYP11B1CYP11B2CYP17A1GRIN1 | |
| SCHEMBL8126674 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP11B1CYP11B2CYP17A1KDM1A | |
| SCHEMBL9341796 | 0.76 | HSD11B1 (0.37) | TRPV3GRIN1GRIN2AGRIN2BOPRM1 | |
| SCHEMBL9341809 | 0.76 | HSD11B1 (0.35) | TRPV3CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL6902549 | 0.72 | SIGMAR1 (0.43) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 | |
| SCHEMBL8313558 | 0.67 | SLC6A2 (0.38) | TRPV3NR3C1OPRM1OPRL1CHRM2 | |
| SCHEMBL8311725 | 0.64 | SLC6A2 (0.36) | NR3C1 | |
| SCHEMBL29980976 | 0.64 | OPRM1 (0.57) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 | |
| SCHEMBL536677 | 0.64 | OPRM1 (0.57) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 | |
| SCHEMBL29980665 | 0.64 | OPRM1 (0.57) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5356915-A | Antihypertensive and bronchodilator agents | J. URIACH & CIA. S.A. (ES) | 1994-10-18 | — | — | US | disclosed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |