Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 14/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21276708 | 0.89 | HRH3 (0.59) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21276814 | 0.89 | EPHX2 (0.51) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21276721 | 0.85 | MCHR1 (0.43) | HRH3ALDH1A1CHRM1HTR2ASIGMAR1 | |
| SCHEMBL18763426 | 0.84 | HRH3 (0.51) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21757567 | 0.84 | HRH3 (0.63) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21276658 | 0.83 | KDM4E (0.51) | HRH3HRH2HRH1EPHX2 | |
| SCHEMBL21757629 | 0.80 | HRH3 (0.58) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21276820 | 0.80 | CHRNB2 (0.32) | — | |
| SCHEMBL21276824 | 0.80 | HRH3 (0.51) | HRH3HRH2HRH1EPHX2MAPK1 | |
| SCHEMBL21757618 | 0.79 | KDM4E (0.59) | HRH3HRH2HRH1EPHX2MAPK1 |
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-3169671-B1 | 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER | SUNSHINE LAKE PHARMA CO LTD (CN) | 2019-08-21 | — | — | EP | disclosed |