Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.74 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.74 |
| ▸ | GPX4 | P36969 | 1/20 | 0.69 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.64 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.62 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 1/20 | 0.56 |
| ▸ | CDK4 | P11802 | 3/20 | 0.55 |
| ▸ | CCND1 | P24385 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL18688569 | 0.87 | HDAC6 (0.77) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL8252701 | 0.85 | HDAC6 (1.00) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL4314830 | 0.84 | GPX4 (0.73) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL20882095 | 0.82 | GPX4 (0.77) | HDAC6HDAC1GPX4TRPV1FAAH | |
| SCHEMBL5556447 | 0.82 | GPX4 (0.77) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL20018759 | 0.82 | GPX4 (1.00) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL13627286 | 0.81 | HDAC6 (0.76) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL5775992 | 0.80 | HDAC6 (0.78) | HDAC6HDAC1GPX4TAAR1TRPV1 | |
| SCHEMBL20817603 | 0.80 | HDAC6 (0.76) | HDAC6HDAC1GPX4TRPV1FAAH | |
| SCHEMBL8315949 | 0.79 | HDAC6 (0.61) | HDAC6HDAC1GPX4TAAR1TRPV1 |
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-2004113336-A1 | CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS | CHROMA THERAPEUTICS LIMITED (GB) | 2004-12-29 | — | — | WO | disclosed |