Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143640 | 0.73 | FOLH1 (0.40) | — | |
| SCHEMBL6785579 | 0.71 | KDM4E (0.34) | ALDH1A1KDM4E | |
| SCHEMBL30476189 | 0.66 | ALDH1A1 (0.76) | ALDH1A1GLAL3MBTL1NPC1RAB9A | |
| SCHEMBL2012858 | 0.66 | ALDH1A1 (0.76) | ALDH1A1GLAL3MBTL1NPC1RAB9A | |
| SCHEMBL9653419 | 0.64 | ALDH1A1 (0.49) | ALDH1A1GLAL3MBTL1NPC1RAB9A | |
| SCHEMBL3865070 | 0.63 | ALDH1A1 (0.42) | ALDH1A1GLANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31652584 | 0.63 | RAB9A (0.42) | ALDH1A1GLAL3MBTL1RAB9ASMN1; SMN2 | |
| SCHEMBL4507752 | 0.63 | JAK2 (0.35) | — | |
| Methanesulfonamide SCHEMBL4789997 | 0.60 | ALDH1A1 (0.64) | ALDH1A1GLASMN1; SMN2KDM4E | |
| Methanesulfonamide SCHEMBL4790635 | 0.59 | ALDH1A1 (0.62) | ALDH1A1GLASMN1; SMN2KDM4E |
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-2001077095-A2 | DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |