Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | AKT1 | P31749 | 3/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206187 | 0.83 | HDAC3 (0.55) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL4147838 | 0.82 | HDAC1 (0.56) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL30871851 | 0.81 | HDAC1 (0.48) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL30146872 | 0.81 | HDAC3 (0.53) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL2112935 | 0.81 | HDAC3 (0.54) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL3328177 | 0.81 | HDAC3 (0.54) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL9823156 | 0.81 | HDAC1 (0.54) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL9060170 | 0.81 | HDAC1 (0.60) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL8525848 | 0.80 | HDAC3 (0.56) | HDAC1HDAC3HDAC2NCOR2CTSL | |
| SCHEMBL1231760 | 0.80 | HDAC3 (0.53) | HDAC1HDAC3HDAC2NCOR2CTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-5786352-A | CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |