Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 3/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330000 | 0.92 | PDE5A (0.36) | FGFR1FGFR2FGFR3PDE5AALDH1A1 | |
| SCHEMBL13329799 | 0.92 | ACVR1 (0.40) | ACVR1FGFR1FGFR2FGFR3PDE5A | |
| SCHEMBL13330056 | 0.90 | ALDH1A1 (0.38) | PDE5AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13329849 | 0.88 | RAB9A (0.38) | ACVR1ALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13330007 | 0.87 | ALDH1A1 (0.40) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13330055 | 0.87 | RAB9A (0.41) | PDE5AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13329927 | 0.85 | DGAT1 (0.36) | PDE5AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13329828 | 0.85 | DGAT1 (0.36) | PDE5AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13329838 | 0.83 | DGAT1 (0.34) | PDE5AALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13329814 | 0.81 | CDC7 (0.48) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 |
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-2010067123-A1 | 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2010-06-17 | — | — | WO | disclosed |