Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13330055 | 0.89 | RAB9A (0.41) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13330007 | 0.87 | ALDH1A1 (0.40) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13330056 | 0.87 | ALDH1A1 (0.38) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13329828 | 0.86 | DGAT1 (0.36) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13329838 | 0.84 | DGAT1 (0.34) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13330000 | 0.84 | PDE5A (0.36) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL13329927 | 0.83 | DGAT1 (0.36) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL10211797 | 0.81 | — | — | |
| SCHEMBL13330228 | 0.81 | ACVR1 (0.38) | SMN1; SMN2HPGDNPC1RAB9AHSD17B10 | |
| SCHEMBL3116300 | 0.79 | — | — |
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 |