Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | IL1RN | P18510 | 1/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 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 | |
|---|---|---|---|---|
| SCHEMBL14324044 | 0.87 | HDAC8 (0.58) | HDAC8HDAC6LMNATP53IL1RN | |
| SCHEMBL14323729 | 0.81 | HDAC8 (0.65) | HDAC8HDAC6IL1RNERAP2ERAP1 | |
| SCHEMBL16199218 | 0.81 | LMNA (0.70) | LMNAMAPTTP53GAATHRB | |
| SCHEMBL16199219 | 0.78 | HDAC8 (0.91) | HDAC8HDAC6MAPTTP53MEN1 | |
| SCHEMBL14329739 | 0.76 | HDAC8 (0.55) | HDAC8HDAC6 | |
| SCHEMBL28237435 | 0.72 | MAPT (0.57) | HDAC8HDAC6LMNAMAPTTP53 | |
| SCHEMBL216021 | 0.71 | CNR2 (0.54) | TP53IL1RNERAP2ERAP1CNR1 | |
| SCHEMBL14324139 | 0.68 | LMNA (0.57) | LMNAMAPTTP53ALDH1A1KDM4E | |
| SCHEMBL14322593 | 0.68 | LMNA (0.53) | HDAC8HDAC6LMNAMAPTTP53 | |
| SCHEMBL12301203 | 0.67 | MAPT (0.58) | HDAC8HDAC6LMNAMAPTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8871728-B2 | Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-10-28 | — | — | US | disclosed |