Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4863623 | 1.00 | PDPK1 (0.54) | PDPK1CHRNA7HTR1AOPRM1OPRD1 | |
| SCHEMBL9748978 | 1.00 | PDPK1 (0.54) | PDPK1CHRNA7HTR1AOPRM1OPRD1 | |
| SCHEMBL4863616 | 1.00 | PDPK1 (0.54) | PDPK1CHRNA7HTR1AOPRM1OPRD1 | |
| SCHEMBL14367944 | 0.94 | PDPK1 (0.50) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL9701818 | 0.94 | PDPK1 (0.50) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL7620201 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7OPRM1OPRK1 | |
| SCHEMBL7620196 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7OPRM1OPRK1 | |
| SCHEMBL7620191 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7OPRM1OPRK1 | |
| SCHEMBL9813868 | 0.84 | SLC9A3 (0.47) | CHRNA7 | |
| SCHEMBL7617553 | 0.84 | CHRNA7 (0.45) | PDPK1CHRNA7OPRM1OPRK1 |
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 |