Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | GLA | P06280 | 2/20 | 0.64 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CDC14B | O60729 | 1/20 | 0.39 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methanesulfonamide SCHEMBL4790635 | 0.98 | ALDH1A1 (0.62) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL30476189 | 0.91 | ALDH1A1 (0.76) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL2012858 | 0.91 | ALDH1A1 (0.76) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL4234802 | 0.80 | ALDH1A1 (0.69) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL11401526 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL29685650 | 0.75 | ALDH1A1 (0.54) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL516363 | 0.75 | ALDH1A1 (0.54) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL4586087 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL6238717 | 0.73 | ALDH1A1 (0.53) | ALDH1A1GLAMAOAKDM4EHPGD | |
| SCHEMBL8820485 | 0.73 | ALDH1A1 (0.49) | ALDH1A1GLAMAOAKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008005955-A9 | SYNTHESIS OF HETEROCYCLIC COMPOUNDS | FOREST LAB HOLDINGS LTD | 2008-04-03 | — | — | WO | disclosed |
| WO-2008005955-A2 | SYNTHESIS OF HETEROCYCLIC COMPOUNDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-01-10 | — | — | WO | disclosed |