Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24378835 | 0.90 | ALDH1A1 (0.44) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL23588708 | 0.78 | ALDH1A1 (0.56) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL24378833 | 0.76 | KDM1A (0.39) | ALDH1A1PKMSMN1; SMN2MAPK1CYP1A2 | |
| SCHEMBL24378840 | 0.76 | WNT1 (0.34) | CYP1A2CYP2D6ALOX15 | |
| SCHEMBL4258249 | 0.75 | ALDH1A1 (0.62) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL12424325 | 0.75 | ALDH1A1 (0.62) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL15986991 | 0.73 | ALOX15 (0.46) | CYP1A2CYP2D6ALOX15 | |
| SCHEMBL24378839 | 0.73 | HSD11B1 (0.42) | ALDH1A1TSHRCYP1A2CYP2D6ALOX15 | |
| SCHEMBL15100017 | 0.72 | TSHR (0.40) | SMN1; SMN2GAATSHR | |
| SCHEMBL24854834 | 0.72 | ALDH1A1 (0.48) | ALDH1A1PKMPOLBSMN1; SMN2MAPT |
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-2022083616-A1 | QUINAZOLINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | 贝达药业股份有限公司 | 2022-04-28 | — | — | WO | disclosed |