Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | F3 | P13726 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13177035 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL20654 | 0.78 | CA12 (0.72) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL20653 | 0.78 | CA12 (0.72) | ALDH1A1CA12CA1CA2TYR | |
| Hydrochloric Acid SCHEMBL724882 | 0.77 | CA12 (0.70) | ALDH1A1CA12CA1CA2TYR | |
| Hydrochloric Acid SCHEMBL724881 | 0.77 | CA12 (0.70) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL23395752 | 0.77 | HDAC2 (0.51) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7939714 | 0.75 | KMT2A (0.50) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL13176605 | 0.74 | TTR (0.65) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL23912505 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL16475654 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TYRCYP2A6ALDH5A1ABAT |
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-2012025155-A1 | HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES | NOVARTIS AG (CH) | 2012-03-01 | — | — | WO | disclosed |