Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 8/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL6048033 | 1.00 | AKR1C3 (0.37) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL9073347 | 0.86 | AKR1C3 (0.34) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL9073349 | 0.86 | AKR1C3 (0.34) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL17027707 | 0.85 | AKR1C3 (0.37) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL25360852 | 0.82 | AKR1C3 (0.38) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL1664114 | 0.80 | TP53 (0.35) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL1664118 | 0.80 | TP53 (0.35) | AKR1C3TP53APEX1PTGS1 | |
| SCHEMBL37709 | 0.79 | — | — | |
| SCHEMBL16093 | 0.79 | — | — | |
| SCHEMBL8726421 | 0.78 | PTGS1 (0.37) | AKR1C3TP53APEX1PTGS1 |
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-1095147-B1 | POLYKETIDES, THEIR PREPARATION, AND MATERIALS FOR USE THEREIN | BIOTICA TECH LTD (GB) | 2006-03-22 | — | — | EP | disclosed |