Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL29200855 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL8990082 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL1374899 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL489584 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL29580842 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL24538203 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL9006101 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL25184486 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL19942971 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB | |
| SCHEMBL25551181 | 0.92 | MMP2 (0.49) | ALDH1A1GAAABCB1CTSLCTSB |
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-116332905-A | (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives | 上海翊石医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |