Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.47 |
| ▸ | CCND1 | P24385 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.47 |
| ▸ | ICMT | O60725 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14557660 | 0.93 | HDAC3 (0.47) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL14564883 | 0.93 | HDAC3 (0.47) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL5149380 | 0.92 | KMT2A (0.53) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL4603062 | 0.90 | ROCK2 (0.48) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL14564885 | 0.90 | ROCK2 (0.48) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL14557920 | 0.90 | ROCK2 (0.48) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL5149313 | 0.89 | KMT2A (0.48) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL14557638 | 0.89 | CDK4 (0.50) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL14159167 | 0.89 | MAPT (0.47) | CDK4CCND1HDAC3HDAC1HDAC2 | |
| SCHEMBL14557606 | 0.89 | ITGB2 (0.47) | CDK4CCND1HDAC3HDAC1HDAC2 |
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-1932831-A1 | 1,2-Diarylacetylene Derivatives of Acyltryptophanols | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-06-18 | — | — | EP | disclosed |