Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 2/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22204568 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL6200834 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL6082958 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL5345577 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL4496128 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL24515807 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL6200837 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL10007480 | 0.76 | CASP3 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL2698668 | 0.76 | CPB1 (0.51) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL2699151 | 0.76 | CPB1 (0.51) | ALDH1A1GAACTSLCTSBCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893599-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134378-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |