Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19472431 | 1.00 | HDAC6 (0.33) | HDAC6HDAC1HDAC2AAK1CA1 | |
| SCHEMBL20225470 | 1.00 | HDAC6 (0.33) | HDAC6HDAC1HDAC2AAK1CA1 | |
| SCHEMBL20198186 | 0.86 | CA14 (0.37) | HDAC6HDAC1HDAC2AAK1CA1 | |
| SCHEMBL18419554 | 0.85 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL18658421 | 0.85 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL22388221 | 0.84 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL904283 | 0.84 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL25124097 | 0.82 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL24500586 | 0.82 | CA1 (0.37) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL20866073 | 0.81 | CA14 (0.31) | HDAC6HDAC1HDAC2 |
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-3154973-B1 | TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-21 | — | — | EP | disclosed |