Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945356 | 0.90 | AAK1 (0.38) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8945121 | 0.89 | CA12 (0.38) | CA12CA1CA9AAK1MAP4K4 | |
| SCHEMBL8944950 | 0.87 | FAAH (0.46) | AAK1 | |
| SCHEMBL8945585 | 0.87 | AAK1 (0.40) | AAK1MAP4K4HDAC1HDAC3HDAC2 | |
| SCHEMBL8945110 | 0.85 | CTSS (0.39) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8945382 | 0.85 | SSTR4 (0.44) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8945097 | 0.83 | AAK1 (0.38) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8945482 | 0.80 | FAAH (0.44) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8945072 | 0.76 | FAAH (0.43) | AAK1HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL8944941 | 0.76 | FAAH (0.43) | AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5578627-A | FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY | TOYAMA CHEMICAL CO., LTD. (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0665226-A1 | NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME | TOYAMA CHEMICAL CO., LTD. (JP) | 1995-08-02 | — | — | EP | disclosed |