Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330059 | 0.89 | PIN1 (0.37) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL13330004 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL13329986 | 0.82 | ALDH1A1 (0.42) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL13329833 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL13329839 | 0.78 | KDM4E (0.44) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL13329836 | 0.78 | RAB9A (0.40) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL13329930 | 0.77 | PIN1 (0.38) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL10212777 | 0.74 | — | — | |
| SCHEMBL13329825 | 0.73 | KDM4E (0.38) | ALDH1A1HTTNPSR1MEN1MAPT | |
| SCHEMBL13329913 | 0.72 | ALDH1A1 (0.48) | ALDH1A1HTTNPSR1SMN1; SMN2ALOX5 |
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 |