Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13329838 | 0.91 | DGAT1 (0.34) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13329836 | 0.85 | RAB9A (0.40) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13329919 | 0.85 | PIN1 (0.38) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13329930 | 0.84 | PIN1 (0.38) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13329833 | 0.84 | ALDH1A1 (0.40) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13330059 | 0.83 | PIN1 (0.37) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13329849 | 0.81 | RAB9A (0.38) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13330229 | 0.80 | PIK3CD (0.43) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13330055 | 0.76 | RAB9A (0.41) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13330000 | 0.76 | PDE5A (0.36) | PIN1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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 |