Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9748924 | 1.00 | SRD5A1 (0.48) | SRD5A1DRD1DRD2DRD4DRD5 | |
| SCHEMBL9748917 | 1.00 | SRD5A1 (0.48) | SRD5A1DRD1DRD2DRD4DRD5 | |
| SCHEMBL7622482 | 0.81 | OPRM1 (0.43) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL7625393 | 0.81 | OPRM1 (0.43) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL7625385 | 0.81 | OPRM1 (0.43) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL4863623 | 0.78 | PDPK1 (0.54) | SRD5A1 | |
| SCHEMBL9748975 | 0.78 | PDPK1 (0.54) | SRD5A1 | |
| SCHEMBL9748978 | 0.78 | PDPK1 (0.54) | SRD5A1 | |
| SCHEMBL4863616 | 0.78 | PDPK1 (0.54) | SRD5A1 | |
| SCHEMBL9748046 | 0.77 | HTR1A (0.49) | DRD2DRD4DRD3 |
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 |