Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945043 | 0.92 | CTSS (0.37) | AAK1FAAHCTSSCTSKHDAC3 | |
| SCHEMBL8945097 | 0.90 | AAK1 (0.38) | AAK1FAAHCTSSCTSKHDAC3 | |
| SCHEMBL8945081 | 0.85 | FAAH (0.43) | AAK1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL8945121 | 0.84 | CA12 (0.38) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8945110 | 0.81 | CTSS (0.39) | AAK1FAAHCTSSCTSKHDAC3 | |
| SCHEMBL8945028 | 0.79 | FAAH (0.42) | AAK1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL8944963 | 0.78 | FAAH (0.41) | AAK1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL8944929 | 0.77 | FAAH (0.42) | AAK1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL8945072 | 0.76 | FAAH (0.43) | AAK1FAAHHDAC3HDAC4HDAC1 | |
| SCHEMBL8945585 | 0.76 | AAK1 (0.40) | AAK1FAAHHDAC3HDAC4HDAC1 |
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 |