Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 2/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090282 | 0.86 | MAP4K4 (0.42) | ALDH1A1CYP11B2CTSDBACE1MAPT | |
| SCHEMBL10304938 | 0.79 | NISCH (0.49) | ALDH1A1TDO2CYP11B2DHODHMAPT | |
| SCHEMBL29901139 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CCNE2CCNE1CDK2BACE1 | |
| SCHEMBL3787023 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CCNE2CCNE1CDK2MAPT | |
| Hydrochloric Acid SCHEMBL29901111 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CCNE2CCNE1CDK2BACE1 | |
| SCHEMBL8010465 | 0.75 | METAP1 (0.45) | ALDH1A1TDO2MAPTMAPK14CASP6 | |
| SCHEMBL1427535 | 0.75 | MAPT (0.36) | ALDH1A1CYP11B2CTSDBACE1MAPT | |
| Ammonia Solution, Strong SCHEMBL12472687 | 0.74 | METAP1 (0.44) | ALDH1A1TDO2MAPTMAPK14CASP6 | |
| SCHEMBL27737007 | 0.72 | CYP11B2 (0.36) | ALDH1A1CYP11B2MAPTMAP4K4MAOA | |
| SCHEMBL15778019 | 0.71 | MAPT (0.44) | CYP11B2CTSDBACE1MAPTMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |