Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | SELL | P14151 | 1/20 | 0.42 |
| ▸ | SELP | P16109 | 1/20 | 0.42 |
| ▸ | FUT4 | P22083 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL27628341 | 0.84 | TPMT (0.43) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL5806920 | 0.83 | FTO (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8297284 | 0.73 | HTR7 (0.70) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL1755360 | 0.70 | CA12 (0.56) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL28071758 | 0.69 | CA12 (0.67) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL5907906 | 0.68 | ALDH1A1 (0.64) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL2585314 | 0.67 | KDM4E (0.59) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1144695 | 0.67 | NOTUM (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL8861314 | 0.66 | KDM4E (0.77) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL3203418 | 0.66 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA7 |
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-2006103088-A1 | NOVEL HYDROXYETHYLAMINE AND KETONE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY | GLAXO GROUP LIMITED (GB) | 2006-10-05 | — | — | WO | disclosed |