Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29765813 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MEN1POLBMAPTHTT | |
| SCHEMBL17535945 | 0.76 | AMY1A (0.42) | ALDH1A1MEN1POLBMAPTKMT2A | |
| SCHEMBL4307951 | 0.74 | ALDH1A1 (0.56) | ALDH1A1MEN1HTTKMT2AIDO1 | |
| SCHEMBL28552674 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MEN1HTTKMT2AL3MBTL1 | |
| SCHEMBL21464154 | 0.72 | ALDH1A1 (0.52) | ALDH1A1MEN1POLBMAPTKMT2A | |
| SCHEMBL16637006 | 0.71 | TTR (0.46) | ALDH1A1MEN1MAPTKMT2AKEAP1 | |
| SCHEMBL6284436 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AIDO1AGXT | |
| SCHEMBL28920191 | 0.70 | ALDH1A1 (0.37) | ALDH1A1MAPTIDO1AGXTKIT | |
| SCHEMBL29350499 | 0.70 | — | — | |
| SCHEMBL14413 | 0.70 | — | — |
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-106488910-B | Inhibitors of KRAS G12C | 亚瑞克西斯制药公司 | 2020-07-31 | — | — | CN | disclosed |