Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537778 | 0.86 | CTSK (0.34) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL24569698 | 0.82 | HDAC6 (0.31) | HDAC6 | |
| SCHEMBL24569367 | 0.82 | HDAC6 (0.31) | HDAC6 | |
| SCHEMBL2836031 | 0.79 | HDAC6 (0.38) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL22364736 | 0.76 | CTSK (0.34) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL20326558 | 0.76 | CA1 (0.45) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL20670458 | 0.76 | NFKB1 (0.34) | HDAC6NFKB1NFKB2RELA | |
| SCHEMBL842922 | 0.75 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL13490197 | 0.75 | HDAC6 (0.36) | HDAC6HDAC1HDAC2CTSKCA1 | |
| SCHEMBL25123692 | 0.73 | HDAC6 (0.35) | HDAC6HDAC1HDAC2CTSKCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |