Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 2/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL21276708 | 0.87 | HRH3 (0.59) | USP2ALDH1A1HRH3EPHX2HRH2 | |
| SCHEMBL21276801 | 0.84 | HRH3 (0.55) | HRH3HRH2HRH1 | |
| SCHEMBL21276721 | 0.83 | MCHR1 (0.43) | USP2ALDH1A1HPGDHRH3DRD3 | |
| SCHEMBL21276685 | 0.81 | MCHR1 (0.41) | USP2ALDH1A1HPGDMCHR1 | |
| SCHEMBL21757567 | 0.80 | HRH3 (0.63) | USP2ALDH1A1HRH3EPHX2HRH2 | |
| SCHEMBL18763421 | 0.79 | RAB9A (0.58) | RAB9ANPC1USP2ALDH1A1HPGD | |
| SCHEMBL21276669 | 0.79 | HRH3 (0.42) | HRH3EPHX2HRH2HRH1 | |
| SCHEMBL21757528 | 0.78 | HRH3 (0.62) | HRH3HRH2 | |
| SCHEMBL7295095 | 0.77 | HRH3 (0.75) | RAB9ANPC1USP2ALDH1A1HPGD | |
| SCHEMBL21276824 | 0.77 | HRH3 (0.51) | USP2ALDH1A1HRH3EPHX2HRH2 |
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 |