Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945107 | 0.81 | FAAH (0.49) | CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8945060 | 0.81 | FAAH (0.48) | CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8944899 | 0.79 | KMT2A (0.49) | CYP1A2ALDH1A1 | |
| SCHEMBL8944960 | 0.73 | FAAH (0.45) | CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8945261 | 0.72 | FAAH (0.44) | CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8945510 | 0.72 | FAAH (0.44) | CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8945254 | 0.72 | FAAH (0.34) | CYP1A2KDM4E | |
| SCHEMBL8944906 | 0.72 | CYP1A2 (0.35) | CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8945306 | 0.72 | FAAH (0.34) | CYP1A2KDM4E | |
| SCHEMBL6988156 | 0.72 | CHEK1 (0.36) | — |
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 |