Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23920431 | 0.84 | SIGMAR1 (0.49) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL26202004 | 0.81 | CYP19A1 (0.46) | ALDH1A1MAPTCYP19A1SMN1; SMN2NPC1 | |
| SCHEMBL28170673 | 0.76 | NPBWR1 (0.44) | ALDH1A1MAPTKDM4EALOX15CMA1 | |
| SCHEMBL29709490 | 0.75 | CYP19A1 (0.52) | CMA1CYP19A1SMN1; SMN2HSP90AA1NPC1 | |
| SCHEMBL28321315 | 0.74 | CA1 (0.53) | ALDH1A1MAPTKDM4ECMA1CYP19A1 | |
| SCHEMBL11819451 | 0.73 | MAPT (0.55) | ALDH1A1MAPTKDM4EALOX15CMA1 | |
| SCHEMBL13975111 | 0.73 | NPBWR1 (0.52) | ALDH1A1MAPTKDM4EALOX15CMA1 | |
| SCHEMBL28434180 | 0.71 | PTGS2 (0.53) | ALDH1A1CMA1HSP90AA1GSK3AGSK3B | |
| SCHEMBL28521022 | 0.70 | CYP19A1 (0.45) | ALDH1A1MAPTKDM4EALOX15CMA1 | |
| SCHEMBL1961673 | 0.70 | CYP11B1 (0.49) | ALDH1A1MAPTKDM4ECYP19A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106146484-A | Quinazoline derivant is as RAF kinase modulator and their method and purposes | 埃姆比特生物科学公司 | 2016-11-23 | — | — | CN | disclosed |