Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SCN1A | P35498 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21276803 | 0.82 | MCHR1 (0.46) | HRH3CHRM1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL21276763 | 0.80 | HRH3 (0.54) | ACACBMAPK1ALDH1A1CYP1A2HRH3 | |
| SCHEMBL3574625 | 0.79 | ALDH1A1 (0.57) | ACACBLTA4HGAASMN1; SMN2MAPK1 | |
| SCHEMBL17447646 | 0.77 | RET (0.62) | — | |
| SCHEMBL18763470 | 0.77 | CA12 (0.59) | ACACBLTA4HGAASMN1; SMN2MAPK1 | |
| SCHEMBL113405 | 0.77 | LTA4H (0.63) | LTA4HGAASMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL4947033 | 0.76 | ABL1 (0.59) | LTA4HGAASMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL21276751 | 0.76 | HRH3 (0.54) | MAPK1ALDH1A1CYP1A2HRH3CHRM2 | |
| SCHEMBL29339540 | 0.73 | LTA4H (0.51) | LTA4HGAASMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL424774 | 0.73 | HRH3 (0.79) | LTA4HGAASMN1; SMN2MAPK1ALDH1A1 |
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 |