Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19506129 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CDK5CDK5R1MAPT | |
| SCHEMBL19506131 | 0.79 | XDH (0.46) | ALDH1A1CYP2C19XDHMAPTKDM4E | |
| SCHEMBL22039148 | 0.75 | TYMS (0.47) | CYP2C19XDHMAPK1TYMSPNP | |
| SCHEMBL21400209 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP2C19XDHCDK5CDK5R1 | |
| SCHEMBL718210 | 0.70 | NPSR1 (0.52) | ALDH1A1XDHMAPTKMT2ANPSR1 | |
| SCHEMBL12956972 | 0.70 | CDK1 (0.52) | ALDH1A1XDHMAPTNPSR1TYMS | |
| SCHEMBL23287915 | 0.68 | ALDH1A1 (0.47) | ALDH1A1CYP2C19CDK5CDK5R1MAPT | |
| SCHEMBL20374884 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP2C19CDK5CDK5R1MAPT | |
| SCHEMBL18950161 | 0.67 | KDM4C (0.46) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL29378333 | 0.67 | L3MBTL1 (0.46) | ALDH1A1CYP2C19KDM4EMEN1KMT2A |
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-3035938-B1 | TARGETED THERAPEUTICS | MADRIGAL PHARMACEUTICALS INC (US) | 2020-08-19 | — | — | EP | disclosed |