Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL11558673 | 0.89 | PTGS1 (0.45) | PTGS1CYP17A1GABRA5MAPTGPBAR1 | |
| SCHEMBL11560465 | 0.86 | PTGS1 (0.36) | PTGS1MAPTGPBAR1 | |
| SCHEMBL11557773 | 0.83 | BCAT1 (0.36) | PTGS1BCAT1CYP17A1GABRA5ESR1 | |
| SCHEMBL10664082 | 0.83 | ESR1 (0.36) | PTGS1BCAT1CYP17A1ESR1ESR2 | |
| SCHEMBL10655633 | 0.80 | HTR3A (0.39) | PTGS1BCAT1CYP17A1 | |
| SCHEMBL11557764 | 0.80 | ESR1 (0.40) | CYP17A1MAPTESR1ESR2 | |
| SCHEMBL11560451 | 0.80 | HSD17B10 (0.43) | PTGS1CYP17A1MAPTGPBAR1HTR7 | |
| SCHEMBL11558263 | 0.78 | GABRA5 (0.35) | PTGS1GABRA5GPBAR1APEX1 | |
| SCHEMBL11560540 | 0.78 | PTGS1 (0.33) | PTGS1CYP17A1GABRA5PDE3BPDE3A | |
| SCHEMBL11558638 | 0.78 | MAPK14 (0.37) | GABRA5MAPTPDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0002666-A1 | 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |