Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.56 |
| ▸ | HTR1A | P08908 | 3/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11487380 | 0.98 | CYP2D6 (0.59) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11492973 | 0.90 | KCNH2 (0.61) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11494398 | 0.90 | SLC6A4 (0.56) | CHRM2CHRM1SLC6A4SLC6A3CHRM3 | |
| SCHEMBL14354382 | 0.89 | CYP2D6 (0.71) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11495149 | 0.88 | SLC6A4 (0.55) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11487640 | 0.88 | SLC6A4 (0.55) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11492202 | 0.88 | CHRM2 (0.52) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11486715 | 0.87 | ALDH1A1 (0.62) | OPRM1LMNAMEN1KMT2ASLC6A4 | |
| SCHEMBL11487389 | 0.87 | CHRM2 (0.48) | CYP2D6CHRM2CHRM1KCNH2HTR1A | |
| SCHEMBL11492535 | 0.87 | SLC6A4 (0.54) | CYP2D6CHRM2CHRM1KCNH2HTR1A |
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-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |