Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL25926673 | 0.80 | KDM4E (0.51) | MPOMAOAMAOBKDM4E | |
| SCHEMBL30107620 | 0.75 | DHFR (0.42) | MPO | |
| SCHEMBL15400226 | 0.73 | CYP2D6 (0.47) | MAOBCYP2D6NOS1 | |
| SCHEMBL1317138 | 0.72 | DHFR (0.54) | — | |
| SCHEMBL10698612 | 0.70 | MPO (0.47) | MPOCYP2D6 | |
| SCHEMBL6415720 | 0.70 | PIN1 (0.48) | — | |
| SCHEMBL6417219 | 0.70 | DHFR (0.47) | MAOAMAOB | |
| SCHEMBL27816217 | 0.69 | APP (0.58) | MPOMAOAMAOBCYP2D6 | |
| SCHEMBL7147862 | 0.68 | ADORA1 (0.57) | — | |
| SCHEMBL30811836 | 0.68 | NUDT1 (0.50) | MPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-1074546-A1 | 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES | Ube Industries, Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |