Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 7/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.42 |
| ▸ | MTOR | P42345 | 7/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21276704 | 0.82 | ACACB (0.53) | MCHR1CHRM1HTR2AHRH3HRH2 | |
| SCHEMBL18763401 | 0.81 | LTA4H (0.52) | MCHR1CHRM1HTR2AHRH3HRH2 | |
| SCHEMBL17447575 | 0.78 | RET (0.49) | — | |
| SCHEMBL21276801 | 0.72 | HRH3 (0.55) | HTR2AHRH3HRH2HRH1CYP3A4 | |
| SCHEMBL2183680 | 0.71 | HRH3 (0.50) | HRH3HRH2HRH1CYP3A4CYP2C9 | |
| SCHEMBL17443451 | 0.70 | RET (0.58) | — | |
| SCHEMBL21276755 | 0.69 | MCHR1 (0.41) | MCHR1CHRM1HTR2AHRH3HRH2 | |
| SCHEMBL25540805 | 0.68 | SIGMAR1 (0.72) | HTR2AHRH3HRH2HRH1CYP3A4 | |
| SCHEMBL22544528 | 0.68 | CDK4 (0.53) | — | |
| SCHEMBL21974286 | 0.67 | ADK (0.47) | PIK3CAMTOR |
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 |