Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6518007 | 1.00 | ALDH1A1 (0.48) | ALDH1A1POLBRAB9APAX8MMP1 | |
| SCHEMBL6522988 | 1.00 | ALDH1A1 (0.48) | ALDH1A1POLBRAB9APAX8MMP1 | |
| SCHEMBL8219313 | 0.87 | POLB (0.49) | ALDH1A1POLBRAB9APAX8KMT2A | |
| SCHEMBL6518443 | 0.87 | POLB (0.49) | ALDH1A1POLBRAB9APAX8KMT2A | |
| SCHEMBL6523714 | 0.87 | POLB (0.49) | ALDH1A1POLBRAB9APAX8KMT2A | |
| SCHEMBL15013036 | 0.79 | CASP3 (0.64) | RAB9APAX8CASP3CASP7CASP9 | |
| SCHEMBL12169307 | 0.79 | CASP3 (0.64) | RAB9APAX8CASP3CASP7CASP9 | |
| SCHEMBL15013035 | 0.79 | CASP3 (0.64) | RAB9APAX8CASP3CASP7CASP9 | |
| SCHEMBL12085003 | 0.78 | EPHX2 (0.56) | ALDH1A1POLBRAB9APAX8KMT2A | |
| SCHEMBL12084999 | 0.78 | EPHX2 (0.56) | ALDH1A1POLBRAB9APAX8KMT2A |
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-2475644-A1 | HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029808-A1 | HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-17 | — | — | WO | disclosed |