Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.47 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.47 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.45 |
| ▸ | PYGL | P06737 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7309549 | 0.93 | AKR1C3 (0.52) | AKR1C3CTSDBACE1BACE2F2 | |
| SCHEMBL7325408 | 0.88 | AR (0.52) | AKR1C3CTSDBACE1BACE2F2 | |
| SCHEMBL6947064 | 0.88 | CTSD (0.48) | AKR1C3CTSDBACE1BACE2F2 | |
| SCHEMBL7313713 | 0.85 | CAPN1 (0.53) | AKR1C3F2MEN1KMT2AGGPS1 | |
| SCHEMBL6942097 | 0.85 | CAPN1 (0.53) | AKR1C3F2MEN1KMT2AGGPS1 | |
| SCHEMBL7315676 | 0.84 | PKM (0.51) | AKR1C3F2MEN1KMT2APYGL | |
| SCHEMBL7791333 | 0.83 | AKR1C3 (0.54) | AKR1C3F2MEN1KMT2AGGPS1 | |
| SCHEMBL7791335 | 0.83 | AKR1C3 (0.54) | AKR1C3F2MEN1KMT2AGGPS1 | |
| SCHEMBL6939930 | 0.83 | AR (0.48) | AKR1C3CTSDBACE1BACE2F2 | |
| SCHEMBL7782218 | 0.83 | AKR1C3 (0.53) | AKR1C3F2MEN1KMT2AGGPS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |