Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12350175 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27851981 | 0.80 | ALDH1A1 (0.43) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27868924 | 0.80 | PTPRC (0.47) | ALDH1A1POLBKMT2AMAPTMEN1 | |
| SCHEMBL28097435 | 0.79 | ALDH1A1 (0.44) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27851942 | 0.77 | ALDH1A1 (0.47) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27851940 | 0.76 | CYP2C19 (0.43) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27868940 | 0.75 | POLB (0.43) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27868930 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HTTMAPTMMP1MMP2 | |
| SCHEMBL17526167 | 0.69 | ALDH1A1 (0.53) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL2718360 | 0.69 | ALDH1A1 (0.56) | ALDH1A1GAAHTTTHRBL3MBTL1 |
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-102421760-A | Dihydropyrimidinones useful as BACE2 inhibitors | HOFFMANN LA ROCHE | 2012-04-18 | — | — | CN | disclosed |