Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16692930 | 0.91 | ALDH1A1 (0.42) | ALDH1A1MAPTL3MBTL1CBFBHTT | |
| SCHEMBL1012090 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MAPTL3MBTL1HTTKDM4E | |
| SCHEMBL15720892 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPTL3MBTL1HTTKDM4E | |
| SCHEMBL24690258 | 0.74 | GPR84 (0.44) | ALDH1A1L3MBTL1HTTKDM4EKMT2A | |
| SCHEMBL19224011 | 0.74 | ALDH1A1 (0.44) | ALDH1A1MAPTTSHR | |
| SCHEMBL15071344 | 0.74 | KDM4E (0.41) | ALDH1A1MAPTKDM4ETSHR | |
| SCHEMBL15720968 | 0.74 | ALDH1A1 (0.45) | ALDH1A1MAPTCBFBKDM4E | |
| SCHEMBL5866793 | 0.72 | MAPT (0.50) | ALDH1A1MAPTL3MBTL1TSHR | |
| SCHEMBL1603516 | 0.72 | MAPT (0.50) | ALDH1A1MAPTL3MBTL1HTTKDM4E | |
| SCHEMBL30935166 | 0.71 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4ETSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2947072-A1 | 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES | Ambit Biosciences Corporation (US) | 2015-11-25 | — | — | EP | disclosed |
| WO-2009117080-A1 | QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATON (US) | 2009-09-24 | — | — | WO | disclosed |