Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 5/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749013 | 0.81 | SRD5A1 (0.45) | FKBP1AADRA2AADRA2BADRA2C | |
| SCHEMBL9748859 | 0.79 | SIGMAR1 (0.49) | SIGMAR1HSD11B1HTR1ACHRM2CHRM4 | |
| SCHEMBL9748850 | 0.79 | SIGMAR1 (0.49) | SIGMAR1HSD11B1HTR1ACHRM2CHRM4 | |
| SCHEMBL9748854 | 0.79 | SIGMAR1 (0.49) | SIGMAR1HSD11B1HTR1ACHRM2CHRM4 | |
| SCHEMBL10607803 | 0.72 | SIGMAR1 (0.70) | SIGMAR1HSD11B1CHRM2CHRM4ABCB1 | |
| SCHEMBL10610930 | 0.70 | SIGMAR1 (0.78) | SIGMAR1CA1CA2CHRM2CHRM4 | |
| SCHEMBL10605845 | 0.69 | SIGMAR1 (0.81) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL9748046 | 0.68 | HTR1A (0.49) | SIGMAR1OPRM1OPRD1OPRK1HTR1A | |
| SCHEMBL9748041 | 0.68 | HTR1A (0.49) | SIGMAR1OPRM1OPRD1OPRK1HTR1A | |
| SCHEMBL9748044 | 0.68 | HTR1A (0.49) | SIGMAR1OPRM1OPRD1OPRK1HTR1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0260555-B1 | BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-04-22 | — | — | EP | disclosed |
| US-5043350-A | Analgesics, diuretics | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-08-27 | — | — | US | disclosed |
| US-5010085-A | Analgesis and/or diuretics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-04-23 | — | — | US | disclosed |
| US-4929627-A | ANALGESICS, DIURETICS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-29 | — | — | US | disclosed |
| US-4876269-A | ANALGESICS, DIURETICS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| EP-0260555-A1 | Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-03-23 | — | — | EP | disclosed |