Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | STAT5B | P51692 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29095121 | 0.76 | POLB (0.45) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL7210951 | 0.75 | AKT1 (0.43) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL29075996 | 0.74 | POLB (0.69) | POLB | |
| SCHEMBL7473118 | 0.73 | LTB4R2 (0.49) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL3819098 | 0.73 | AKT1 (0.52) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL828343 | 0.72 | POLB (0.50) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL23291192 | 0.72 | CYP1A2 (0.45) | — | |
| SCHEMBL4315970 | 0.72 | PTGES (0.54) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL5906827 | 0.72 | CHRM2 (0.50) | HDAC3HDAC1HDAC2NCOR2AKT1 | |
| SCHEMBL19922245 | 0.72 | AKT1 (0.47) | HDAC3HDAC1HDAC2NCOR2AKT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1359913-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-2002064140-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |