Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAP2K1 | Q02750 | 9/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | QPCT | Q16769 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.47 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL18763454 | 0.87 | AXL (0.53) | TSHRCYP2D6SRCQPCTKDM4E | |
| SCHEMBL14421397 | 0.83 | HRH3 (0.60) | TSHRCYP2D6MAP2K1SRCKDM4E | |
| SCHEMBL21276702 | 0.80 | UTS2R (0.55) | TSHRRAF1HTR2AHTR2BHRH3 | |
| SCHEMBL524146 | 0.78 | HRH3 (0.60) | TSHRCYP2D6MAP2K1SRCKDM4E | |
| SCHEMBL17443395 | 0.78 | RET (0.68) | RAF1PDGFRB | |
| SCHEMBL11961176 | 0.78 | TSHR (0.61) | TSHRCYP2D6KDM4ETDP1LMNA | |
| SCHEMBL21276750 | 0.77 | HRH3 (0.46) | TSHRCYP2D6MAP2K1KDM4ELMNA | |
| SCHEMBL1667163 | 0.77 | AXL (0.61) | TSHRCYP2D6SRCQPCTKDM4E | |
| SCHEMBL4572943 | 0.77 | TSHR (0.60) | TSHRCYP2D6SRCKDM4ETDP1 | |
| SCHEMBL14399501 | 0.76 | TSHR (0.61) | TSHRCYP2D6QPCTKDM4ETDP1 |
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 |