Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24378832 | 0.90 | ALDH1A1 (0.52) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL21757036 | 0.76 | ALDH1A1 (0.42) | ALDH1A1PKMPOLBSMN1; SMN2 | |
| SCHEMBL23588708 | 0.75 | ALDH1A1 (0.56) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL22995775 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL10514861 | 0.73 | ALDH1A1 (0.40) | ALDH1A1PKMPOLBSMN1; SMN2OPRM1 | |
| SCHEMBL18202994 | 0.73 | ALDH1A1 (0.52) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL15987018 | 0.71 | — | — | |
| SCHEMBL24854834 | 0.70 | ALDH1A1 (0.48) | ALDH1A1PKMPOLBSMN1; SMN2KCNH2 | |
| SCHEMBL24854255 | 0.70 | ALDH1A1 (0.48) | ALDH1A1PKMPOLBSMN1; SMN2MAPT | |
| SCHEMBL18459002 | 0.69 | ALDH1A1 (0.47) | 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 |