Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLA1 | P09884 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6989351 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6987889 | 0.90 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6991875 | 0.89 | HPGD (0.43) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6985330 | 0.89 | HPGD (0.43) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6992928 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6991326 | 0.86 | HPGD (0.42) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL7181792 | 0.86 | HPGD (0.39) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL7139321 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6984758 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EGLAGAA | |
| SCHEMBL6991347 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EGLAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363887-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002070487-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-09-12 | — | — | WO | disclosed |