Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | GAA | P10253 | 2/20 | 0.74 |
| ▸ | MAPT | P10636 | 2/20 | 0.74 |
| ▸ | RAB9A | P51151 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.73 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.66 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.66 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.66 |
| ▸ | APAF1 | O14727 | 1/20 | 0.65 |
| ▸ | CASP1 | P29466 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | CASP7 | P55210 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL1142116 | 1.00 | CASP3 (0.86) | CASP3ALDH1A1GAAMAPTRAB9A | |
| Dimethylamine SCHEMBL4418548 | 0.93 | CASP3 (0.75) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL13442858 | 0.93 | CASP3 (1.00) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL822573 | 0.88 | ALDH1A1 (0.75) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL45050 | 0.88 | TDP1 (0.86) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL30371663 | 0.88 | TDP1 (0.86) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL916601 | 0.86 | TDP1 (0.96) | CASP3ALDH1A1TDP1L3MBTL1ALDH2 | |
| SCHEMBL18074272 | 0.86 | CASP3 (0.67) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL28284669 | 0.86 | ALDH1A1 (1.00) | CASP3ALDH1A1GAAMAPTRAB9A | |
| SCHEMBL18669052 | 0.85 | CASP3 (0.65) | CASP3ALDH1A1GAAMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023012820-A1 | A PROCESS FOR THE PREPARATION OF GRAPIPRANT AND ITS INTERMEDIATES | ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) | 2023-02-09 | — | — | WO | disclosed |
| CN-114853642-A | Synthesis method for directly alkylating benzyl position of aromatic compound | 西湖大学 | 2022-08-05 | — | — | CN | disclosed |