Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
| ▸ | KDM5C | P41229 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.43 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.43 |
| ▸ | ENO1 | P06733 | 1/20 | 0.41 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.39 |
| ▸ | TPI1 | P60174 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30938819 | 0.88 | FOLH1 (0.55) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL10781214 | 0.76 | ENO1 (0.52) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL10893412 | 0.74 | ENO1 (0.50) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL445984 | 0.73 | — | — | |
| SCHEMBL445983 | 0.73 | — | — | |
| Malonodihydroxamic Acid SCHEMBL3246123 | 0.72 | — | — | |
| Succinodihydroxamic Acid SCHEMBL940650 | 0.69 | FOLH1 (0.75) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL3192012 | 0.69 | MCL1 (0.43) | KDM4EKDM5CEGLN1PHF8KDM2A | |
| SCHEMBL13169735 | 0.69 | KDM4E (0.46) | KDM4EKDM5CPHF8KDM2AMEN1 | |
| SCHEMBL22916906 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3445744-B1 | NOVEL INHIBITORS OF MEPRIN ALPHA AND BETA | VIVORYON THERAPEUTICS AG (DE) | 2021-10-06 | — | — | EP | disclosed |
| EP-2119690-A1 | Radiolabelled MMP selective compounds | Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) | 2009-11-18 | — | — | EP | disclosed |