Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL13329839 | 0.89 | KDM4E (0.44) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL13329913 | 0.83 | ALDH1A1 (0.48) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL13330218 | 0.83 | ALDH1A1 (0.41) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL13329828 | 0.80 | DGAT1 (0.36) | KDM4EALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL13330056 | 0.79 | ALDH1A1 (0.38) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL13330055 | 0.78 | RAB9A (0.41) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL13329799 | 0.78 | ACVR1 (0.40) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL10212638 | 0.78 | — | — | |
| SCHEMBL13330053 | 0.77 | ALDH1A1 (0.38) | KDM4EALDH1A1GAAMAPTNPSR1 | |
| SCHEMBL3260845 | 0.77 | — | — |
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 |