Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1097084 | 0.94 | ALDH1A1 (0.39) | ALDH1A1KDM4EHRH3MAOBTSHR | |
| SCHEMBL1097492 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAOBTSHRNPSR1 | |
| SCHEMBL11483699 | 0.82 | — | — | |
| SCHEMBL11482886 | 0.79 | HRH3 (0.52) | ALDH1A1KDM4EHRH3PAOX | |
| SCHEMBL11484139 | 0.79 | HRH3 (0.52) | ALDH1A1KDM4EHRH3PAOX | |
| SCHEMBL11899867 | 0.79 | HRH3 (0.52) | ALDH1A1KDM4EHRH3PAOX | |
| SCHEMBL11486700 | 0.79 | HRH3 (0.52) | ALDH1A1KDM4EHRH3PAOX | |
| SCHEMBL11484221 | 0.79 | — | — | |
| SCHEMBL7067040 | 0.79 | HRH3 (0.34) | HRH3PAOXMAPTMAOBBCHE | |
| SCHEMBL4495953 | 0.79 | MAPT (0.45) | ALDH1A1KDM4EHRH3PAOXMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003047584-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | claimed |
| WO-2003048159-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | claimed |
| WO-2003047584-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003047583-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003048159-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |