Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 1/20 | 0.33 |
| ▸ | HEXB | P07686 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090279 | 0.82 | ALDH1A1 (0.39) | HEXAHEXBALDH1A1CYP2D6ATM | |
| SCHEMBL28824383 | 0.76 | HEXA (0.37) | HEXAHEXBCYP2D6PIK3CA | |
| SCHEMBL1091993 | 0.69 | KMT2A (0.36) | HEXAHEXBALDH1A1CYP2D6ATM | |
| SCHEMBL603822 | 0.69 | ALDH1A1 (0.37) | HEXAHEXBALDH1A1CYP2D6ATM | |
| SCHEMBL28043035 | 0.66 | PIK3CA (0.33) | ALDH1A1PIK3CA | |
| SCHEMBL9283316 | 0.63 | TLR8 (0.43) | ALDH1A1 | |
| SCHEMBL27544017 | 0.63 | HEXA (0.49) | HEXAHEXB | |
| SCHEMBL26977763 | 0.61 | CASP1 (0.33) | ALDH1A1CYP2D6ATM | |
| SCHEMBL26977810 | 0.61 | CCNA2 (0.40) | ALDH1A1CYP2D6ATMPIK3CA | |
| SCHEMBL26977748 | 0.61 | NPSR1 (0.41) | ALDH1A1CYP2D6ATMMAPTKMT2A |
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-105263923-A | Pyrimidine compounds and their use as gamma secretase modulators | Acturum Life Science AB | 2016-01-20 | — | — | CN | disclosed |