Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.89 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31448737 | 0.97 | ALDH1A1 (0.84) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| Benzene SCHEMBL28328298 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| SCHEMBL27950997 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| SCHEMBL28465796 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| SCHEMBL29407079 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| SCHEMBL25981 | 0.94 | ALDH1A1 (1.00) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| Bromide SCHEMBL5256514 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| Water SCHEMBL11160127 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL11811623 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 | |
| SCHEMBL20819726 | 0.92 | ALDH1A1 (0.94) | ALDH1A1HSD17B10L3MBTL1CYP3A4SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108349996-A | Tricyclic PI3K inhibitor compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-101541811-B | Pyrazolopyrimidine Derivatives | DAIICHI SANKYO CO LTD | 2014-07-09 | — | — | CN | disclosed |
| CN-101541811-A | Pyrazolopyrimidine Derivatives | DAIICHI SANKYO CO LTD (JP) | 2009-09-23 | — | — | CN | disclosed |