Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6989390 | 0.99 | IDO1 (0.33) | IDO1CYP17A1CHEK1KITKDR | |
| SCHEMBL29416851 | 0.91 | CYP17A1 (0.35) | CYP17A1CHEK1 | |
| SCHEMBL6987236 | 0.91 | CYP17A1 (0.35) | CYP17A1CHEK1 | |
| Hydrochloric Acid SCHEMBL6992724 | 0.89 | KDM4E (0.35) | CYP17A1CHEK1 | |
| Hydrochloric Acid SCHEMBL6994412 | 0.82 | CYP17A1 (0.31) | CYP17A1 | |
| Hydrochloric Acid SCHEMBL6990286 | 0.82 | CYP17A1 (0.33) | CYP17A1CHEK1KITKDRFLT3 | |
| Hydrochloric Acid SCHEMBL6990622 | 0.80 | MBOAT4 (0.34) | CYP17A1 | |
| SCHEMBL29973407 | 0.79 | CHEK1 (0.35) | CYP17A1CHEK1 | |
| Hydrochloric Acid SCHEMBL6993592 | 0.79 | MKNK1 (0.36) | — | |
| SCHEMBL8201516 | 0.78 | FAAH (0.34) | IDO1CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0779281-B1 | ISOXAZOLES | SANKYO CO (JP) | 2003-10-29 | — | — | EP | claimed |
| US-6096771-A | ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE | SANKYO COMPANY, LIMITED (JP) | 2000-08-01 | — | — | US | claimed |