Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | PREP | P48147 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | VDR | P11473 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KLF10 | Q13118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8907638 | 0.88 | CA12 (0.40) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL7258416 | 0.85 | TYR (0.40) | CA12CA1CA9PREPMEN1 | |
| SCHEMBL14157316 | 0.83 | CA12 (0.43) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL22887496 | 0.83 | CA12 (0.43) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL2200031 | 0.83 | CA12 (0.43) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL2188571 | 0.83 | CA12 (0.43) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL14157365 | 0.81 | CA12 (0.42) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL15124109 | 0.81 | CA12 (0.42) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL4979695 | 0.81 | CA12 (0.42) | CA12CA1CA9PREPHSP90AA1 | |
| SCHEMBL14110450 | 0.81 | CA12 (0.48) | CA12CA1CA9PREPHSP90AA1 |
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-0550924-A1 | 2-Pyrrolidinone derivatives as HIV protease inhibitors | MERCK & CO. INC. (US) | 1993-07-14 | — | — | EP | disclosed |