Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29416851 | 1.00 | CYP17A1 (0.35) | CYP17A1CHEK1TAAR1KDM4EPRKCH | |
| Hydrochloric Acid SCHEMBL6992724 | 0.98 | KDM4E (0.35) | CYP17A1CHEK1TAAR1KDM4EPRKCH | |
| SCHEMBL6989532 | 0.91 | IDO1 (0.33) | CYP17A1CHEK1 | |
| Hydrochloric Acid SCHEMBL6989390 | 0.90 | IDO1 (0.33) | CYP17A1CHEK1KDM4E | |
| SCHEMBL29973407 | 0.88 | CHEK1 (0.35) | CYP17A1CHEK1KMT2A | |
| Hydrochloric Acid SCHEMBL6990286 | 0.87 | CYP17A1 (0.33) | CYP17A1CHEK1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL6994412 | 0.87 | CYP17A1 (0.31) | CYP17A1KDM4E | |
| Hydrochloric Acid SCHEMBL6995997 | 0.86 | CHEK1 (0.34) | CYP17A1CHEK1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL6990622 | 0.85 | MBOAT4 (0.34) | CYP17A1 | |
| Hydrochloric Acid SCHEMBL6993592 | 0.84 | MKNK1 (0.36) | KDM4EKMT2A |
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 3 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 |
| CN-1162957-A | Isoxazole derivatives | SANKYO CO (JP) | 1997-10-22 | — | — | CN | disclosed |