Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.48 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7674462 | 1.00 | AKR1C3 (0.50) | AKR1C3PIN1SLC16A3L3MBTL1F2 | |
| SCHEMBL7791333 | 0.89 | AKR1C3 (0.54) | AKR1C3PIN1SLC16A3F2ALDH1A1 | |
| SCHEMBL7791335 | 0.89 | AKR1C3 (0.54) | AKR1C3PIN1SLC16A3F2ALDH1A1 | |
| SCHEMBL7789327 | 0.89 | ALDH1A1 (0.57) | AKR1C3PIN1SLC16A3F2ALDH1A1 | |
| SCHEMBL7789330 | 0.89 | ALDH1A1 (0.57) | AKR1C3PIN1SLC16A3F2ALDH1A1 | |
| SCHEMBL7680207 | 0.88 | AR (0.50) | AKR1C3PIN1F2ALDH1A1MEN1 | |
| SCHEMBL7680200 | 0.88 | AR (0.50) | AKR1C3PIN1F2ALDH1A1MEN1 | |
| SCHEMBL7677187 | 0.85 | CAPN1 (0.50) | AKR1C3SLC16A3L3MBTL1F2ALDH1A1 | |
| SCHEMBL7677185 | 0.85 | CAPN1 (0.50) | AKR1C3SLC16A3L3MBTL1F2ALDH1A1 | |
| SCHEMBL28666883 | 0.82 | AKR1C3 (0.71) | AKR1C3SLC16A3ALDH1A1MEN1KMT2A |
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-6448254-B1 | INHIBITORS OF ENZYMES, IN PARTICULAR CYSTEINE PROTEASES, SUCH AS CALPAIN AND ITS ISOENZYMES AND CATHEPSINS | ABBOTT LABORATORIES | 2002-09-10 | — | — | US | disclosed |