Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13329833 | 0.92 | ALDH1A1 (0.40) | ADRA1AALDH1A1HTTHPGDRAB9A | |
| SCHEMBL13329919 | 0.89 | PIN1 (0.38) | ADRA1AALDH1A1HTTHPGDRAB9A | |
| SCHEMBL13330007 | 0.88 | ALDH1A1 (0.40) | PIK3CAADRA1AALDH1A1POLBHPGD | |
| SCHEMBL13329836 | 0.87 | RAB9A (0.40) | ADRA1AALDH1A1HTTLMNAPOLB | |
| SCHEMBL13329930 | 0.86 | PIN1 (0.38) | ADRA1AALDH1A1HTTLMNAHPGD | |
| SCHEMBL13329849 | 0.85 | RAB9A (0.38) | ADRA1AALDH1A1HTTHPGDRAB9A | |
| SCHEMBL13330059 | 0.85 | PIN1 (0.37) | ADRA1AALDH1A1HTTHPGDRAB9A | |
| SCHEMBL13329907 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HTTHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL13330060 | 0.80 | PIN1 (0.34) | ADRA1AALDH1A1HTTHPGDRAB9A | |
| SCHEMBL13330056 | 0.80 | ALDH1A1 (0.38) | ALDH1A1HPGDRAB9ASMN1; SMN2NPC1 |
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 |