Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | CA12 | O43570 | 3/20 | 0.68 |
| ▸ | CA1 | P00915 | 3/20 | 0.68 |
| ▸ | CA2 | P00918 | 3/20 | 0.68 |
| ▸ | CA7 | P43166 | 3/20 | 0.68 |
| ▸ | CA9 | Q16790 | 3/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.68 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | CDC25B | P30305 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CDC25A | P30304 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1174964 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CA12CA1CA2CA7 | |
| Salicylic Acid SCHEMBL28215840 | 0.91 | ALDH1A1 (0.71) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL22939012 | 0.89 | ALDH1A1 (0.73) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL22939382 | 0.87 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29517975 | 0.86 | MEN1 (0.69) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL93207 | 0.86 | MEN1 (0.69) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL11691699 | 0.85 | CA12 (0.68) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17241756 | 0.85 | CA12 (0.73) | ALDH1A1CA12CA1CA2CA7 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL3278615 | 0.85 | ALDH1A1 (0.80) | ALDH1A1CA12CA1CA2CA7 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL28147403 | 0.84 | ALDH1A1 (0.95) | ALDH1A1CA12CA1CA2CA7 |
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-111189937-B | Liquid phase detection separation method for related substances of aspirin bulk drug | 江苏开元药业有限公司 | 2023-11-21 | — | — | CN | disclosed |