Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | APP | P05067 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8425824 | 0.84 | KMT2A (0.49) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL6953248 | 0.84 | MAPT (0.65) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL8427533 | 0.78 | MAPT (0.65) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL8425552 | 0.77 | POLB (0.55) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL8428070 | 0.74 | CA1 (0.54) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL29389131 | 0.74 | GAA (0.58) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL19644103 | 0.74 | GAA (0.58) | GAAMAPTKMT2AKDM4EAPP | |
| SCHEMBL8424022 | 0.74 | CD274 (0.67) | GAAMAPTKMT2AKDM4EALDH1A1 | |
| SCHEMBL8428126 | 0.73 | ALDH1A1 (0.43) | GAAMAPTKMT2AKDM4EAPP | |
| Benzonitrile SCHEMBL27259623 | 0.72 | SMN1; SMN2 (0.47) | GAAMAPTKMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5869516-A | 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-02-09 | — | — | US | disclosed |