Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.45 |
| ▸ | PYGL | P06737 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5926278 | 0.87 | PYGL (0.55) | CDK2PYGLLNPEPTACR3HDAC1 | |
| SCHEMBL3989387 | 0.82 | CDK2 (0.54) | CDK2PYGLLNPEPHPGDSHDAC1 | |
| SCHEMBL5926818 | 0.82 | CDK2 (0.54) | CDK2PYGLLNPEPHPGDSHDAC1 | |
| SCHEMBL3974514 | 0.82 | PYGL (0.50) | CDK2PYGLLNPEPTACR3HDAC1 | |
| SCHEMBL3974510 | 0.82 | PYGL (0.50) | CDK2PYGLLNPEPTACR3HDAC1 | |
| SCHEMBL3971232 | 0.77 | PYGL (0.47) | CDK2PYGLLNPEPTACR3HDAC1 | |
| SCHEMBL3979419 | 0.77 | PYGL (0.47) | CDK2PYGLLNPEPTACR3HDAC1 | |
| SCHEMBL3995599 | 0.77 | PSMB5 (0.51) | CDK2PYGLLNPEPHDAC1HDAC6 | |
| SCHEMBL6099076 | 0.76 | CDK2 (0.59) | CDK2PYGLTACR3HDAC1HDAC6 | |
| SCHEMBL6503531 | 0.76 | PYGL (0.46) | CDK2PYGLLNPEPTACR3ALDH1A1 |
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-1660439-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005014533-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |