Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18622068 | 0.87 | PKM (0.45) | PKMKDM4ETHRBHRH3HTT | |
| SCHEMBL9816463 | 0.79 | KDM4E (0.45) | PKMKDM4ETHRBHRH3HTT | |
| SCHEMBL14366070 | 0.79 | KDM4E (0.40) | PKMKDM4ETHRBHTT | |
| SCHEMBL20388578 | 0.79 | PKM (0.40) | PKMKDM4ETHRBHRH3HTT | |
| SCHEMBL14885080 | 0.71 | PKM (0.38) | PKMKDM4ETHRBHTT | |
| SCHEMBL8853319 | 0.71 | L3MBTL1 (0.32) | — | |
| SCHEMBL25763081 | 0.70 | HRH3 (0.35) | PKMKDM4EHRH3 | |
| SCHEMBL4578255 | 0.69 | KDM4E (0.36) | PKMKDM4EHRH3 | |
| SCHEMBL15972133 | 0.69 | KDM4E (0.36) | PKMKDM4EHRH3 | |
| SCHEMBL14136486 | 0.68 | PKM (0.41) | PKMKDM4ETHRBHTT |
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-3097098-B1 | PROCESS FOR THE PREPARATION OF N-[(3-AMINOOXETAN-3-YL)METHYL]-2-(1,1-DIOXO-3,5-DIHYDRO-1,4-BENZOTHIAZEPIN-4-YL)-6-METHYL-QUINAZOLIN-4-AMINE | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |