Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24717559 | 0.87 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTHPGDLMNA | |
| SCHEMBL23498289 | 0.86 | MEN1 (0.36) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL29812974 | 0.86 | MEN1 (0.36) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL25643115 | 0.85 | ALDH1A1 (0.47) | ALDH1A1RXFP1KDM4EMAPTHPGD | |
| SCHEMBL25643118 | 0.80 | AAK1 (0.34) | ALDH1A1RXFP1KDM4EMAPTHPGD | |
| SCHEMBL23496898 | 0.79 | LCK (0.39) | ALDH1A1RXFP1KDM4EMAPTHPGD | |
| SCHEMBL29813129 | 0.79 | LCK (0.39) | ALDH1A1RXFP1KDM4EMAPTHPGD | |
| SCHEMBL25639711 | 0.77 | ATR (0.37) | ALDH1A1KDM4EMAPTLMNAMEN1 | |
| SCHEMBL31491061 | 0.75 | EGLN2 (0.35) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL31085802 | 0.75 | LCK (0.34) | ALDH1A1MAPTNPC1TP53HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104018-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUND AS KRAS G12D INHIBITOR | 苏州浦合医药科技有限公司 | 2023-06-15 | — | — | WO | disclosed |