Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 1/20 | 0.34 |
| ▸ | GRK5 | P34947 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20969710 | 0.81 | ACACB (0.36) | ALDH1A1CDK5CCNE1CDK2CDK5R1 | |
| SCHEMBL8693683 | 0.81 | SMN1; SMN2 (0.41) | ALDH1A1MAPTCDK5DYRK1AAURKA | |
| SCHEMBL27370484 | 0.78 | MAPT (0.43) | ALDH1A1MAPTCDK5DYRK1AAURKA | |
| SCHEMBL8688516 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1MAPTCCNE1CDK2AXL | |
| SCHEMBL19709636 | 0.78 | ALDH1A1 (0.33) | ALDH1A1CDK5CCNE1CDK2CDK5R1 | |
| SCHEMBL27379338 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTCDK5CCNE1CDK2 | |
| SCHEMBL20969721 | 0.73 | KDM4E (0.42) | ALDH1A1MAPTCDK5DYRK1AAURKA | |
| SCHEMBL20969585 | 0.73 | ACACB (0.36) | ALDH1A1MAPTKMT2ASMN1; SMN2LMNA | |
| SCHEMBL4242805 | 0.73 | PSMB8 (0.43) | ALDH1A1MAPTKMT2ASMN1; SMN2LMNA | |
| SCHEMBL8689714 | 0.71 | ARNT (0.38) | ALDH1A1MAPTCDK5CCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753595-A | Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones | FMC CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997008170-A1 | HERBICIDAL 3-(SUBSTITUTED BENZOXAZOL-7-YL) AND 3-(SUBSTITUTED BENZOTHIAZOL-7-YL)-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)PYRIMIDINEDIONES | FMC CORPORATION (US) | 1997-03-06 | — | — | WO | disclosed |