Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5195650 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL5195644 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL5412247 | 0.90 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL5412244 | 0.90 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL6822887 | 0.87 | CA12 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6822885 | 0.87 | CA12 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6822886 | 0.87 | CA12 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2855446 | 0.85 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL2855442 | 0.85 | CA12 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL4245008 | 0.82 | CA12 (0.50) | ALDH1A1MAPK1TDP1L3MBTL1CA12 |
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-1812383-A1 | GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF | Smithkline Beecham Corporation (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006052722-A1 | GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 2006-05-18 | — | — | WO | disclosed |