Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | DHFR | P00374 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | GUSB | P08236 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22748852 | 0.85 | GAA (0.62) | SMN1; SMN2GAAALDH1A1MAPT | |
| SCHEMBL28689598 | 0.85 | GAA (0.62) | SMN1; SMN2GAAALDH1A1MAPT | |
| SCHEMBL22758024 | 0.84 | CA1 (0.71) | GAACA1CA2DHFRALDH1A1 | |
| SCHEMBL31383367 | 0.84 | CA1 (0.71) | GAACA1CA2DHFRALDH1A1 | |
| SCHEMBL22758022 | 0.84 | CA1 (0.71) | GAACA1CA2DHFRALDH1A1 | |
| SCHEMBL10279644 | 0.79 | ALDH1A1 (0.52) | SMN1; SMN2GAANPC1CA1CA2 | |
| SCHEMBL7356693 | 0.76 | DHFR (0.74) | SMN1; SMN2GAANPC1CA1CA2 | |
| SCHEMBL7356688 | 0.76 | DHFR (0.74) | SMN1; SMN2GAANPC1CA1CA2 | |
| SCHEMBL5766793 | 0.76 | DHFR (0.70) | GAACA1CA2DHFRALDH1A1 | |
| SCHEMBL10113568 | 0.75 | ALDH1A1 (0.57) | SMN1; SMN2GAANPC1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114026095-A | Alternative process for the preparation of 4-phenyl-5-alkoxycarbonyl-2-thiazol-2-yl-1, 4-dihydropyrimidin-6-yl ] methyl ] -3-oxo-5, 6,8,8 a-tetrahydro-1H-imidazo [1,5-a ] pyrazin-2-yl ] -carboxylic acid | 豪夫迈·罗氏有限公司 | 2022-02-08 | — | — | CN | disclosed |
| WO-2020245246-A1 | ALTERNATIVE PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIC ACID | F. HOFFMANN-LA ROCHE AG (CH) | 2020-12-10 | — | — | WO | disclosed |