Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21276670 | 0.96 | MCHR1 (0.50) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL21276824 | 0.91 | HRH3 (0.51) | MCHR1CHRM1HTR2ACYP2D6CYP1A2 | |
| SCHEMBL21276771 | 0.88 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL21276708 | 0.86 | HRH3 (0.59) | CHRM1HTR2AACACBCYP1A2HRH2 | |
| SCHEMBL14368318 | 0.86 | CA12 (0.58) | CHRM1HTR2ACYP2D6CA12CA1 | |
| SCHEMBL21276827 | 0.83 | MCHR1 (0.45) | MCHR1CYP2D6ACACBCA12CA1 | |
| SCHEMBL21276690 | 0.81 | PRKAB1 (0.47) | ACACB | |
| SCHEMBL21757567 | 0.80 | HRH3 (0.63) | CHRM1HTR2ACYP1A2HRH2HRH1 | |
| SCHEMBL21276751 | 0.79 | HRH3 (0.54) | MCHR1CHRM1HTR2ACYP2D6CYP1A2 | |
| SCHEMBL21757596 | 0.79 | TSHR (0.66) | CHRM1HTR2ACA12CA1CA2 |
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 |