Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CFTR | P13569 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6473999 | 1.00 | GAA (0.74) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL11568484 | 0.90 | KDM4E (0.76) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL2900351 | 0.90 | KDM4E (0.82) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL8902306 | 0.90 | GAA (0.67) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL11385067 | 0.87 | GAA (0.63) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL31430552 | 0.87 | GAA (0.63) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL23874532 | 0.85 | GAA (0.61) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL30002737 | 0.85 | GAA (0.61) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL169553 | 0.85 | GAA (0.66) | GAAKDM4EPOLBALDH1A1HSD17B10 | |
| SCHEMBL12111598 | 0.85 | GAA (0.66) | GAAKDM4EPOLBALDH1A1HSD17B10 |
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-114040915-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 里伯赛恩斯有限责任公司 | 2022-02-11 | — | — | CN | disclosed |