Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.37 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25973455 | 0.85 | TDO2 (0.48) | ALDH1A1MAPK1TDO2LMNAPRKCZ | |
| SCHEMBL17255938 | 0.80 | GAA (0.33) | MAPTKMT2A | |
| SCHEMBL22258410 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPK1TDO2LMNAPRKCZ | |
| SCHEMBL1891962 | 0.77 | MAPT (0.49) | ALDH1A1MAPK1RAB9ANPC1RPS6KA3 | |
| SCHEMBL23623516 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPK1TDO2LMNAPRKCZ | |
| SCHEMBL1524405 | 0.76 | CYP2A6 (0.45) | ALDH1A1TDO2LMNAPRKCZHSD17B10 | |
| SCHEMBL20999462 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDO2CDK2PLK4 | |
| SCHEMBL29597422 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDO2CDK2PLK4 | |
| SCHEMBL6343428 | 0.73 | DHFR (0.47) | ALDH1A1RAB9ANPC1ADORA2AADORA1 | |
| SCHEMBL5256517 | 0.72 | ALDH1A1 (0.62) | ALDH1A1MAPK1TDO2HSD17B10RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | disclosed |
| WO-2022117920-A1 | 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER | ORION CORPORATION (FI) | 2022-06-09 | — | — | WO | disclosed |