Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.78 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.78 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.78 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.78 |
| ▸ | DRD1 | P21728 | 2/20 | 0.78 |
| ▸ | DRD3 | P35462 | 2/20 | 0.78 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.78 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.78 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.78 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.78 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.78 |
| ▸ | HTR2A | P28223 | 1/20 | 0.78 |
| ▸ | HTR2C | P28335 | 1/20 | 0.78 |
| ▸ | HRH1 | P35367 | 1/20 | 0.78 |
| ▸ | HTR2B | P41595 | 1/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL8186671 | 1.00 | OPRM1 (0.78) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL7977689 | 1.00 | OPRM1 (0.78) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL3919536 | 1.00 | OPRM1 (0.78) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL8176312 | 0.91 | OPRM1 (0.67) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL7317034 | 0.91 | OPRM1 (0.67) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL1502253 | 0.90 | CYP2D6 (0.65) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL2054235 | 0.90 | CYP2D6 (0.67) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL467087 | 0.89 | OPRM1 (0.64) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL16448455 | 0.89 | OPRM1 (0.70) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 | |
| Cyclizine SCHEMBL4690 | 0.89 | CYP2D6 (1.00) | OPRM1CYP2D6CHRM2ADRA2ACHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048979-A | CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES | NYCOMED SALUTAR, INC. (US) | 2000-04-11 | — | — | US | disclosed |