Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | CDC25B | P30305 | 3/20 | 0.57 |
| ▸ | CDC25A | P30304 | 1/20 | 0.57 |
| ▸ | CDC25C | P30307 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1841262 | 0.85 | HPGD (0.62) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL1841260 | 0.85 | HPGD (0.62) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL283472 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| Hydrochloric Acid SCHEMBL808993 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL809163 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL809164 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL27406129 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL30305394 | 0.75 | HPGD (0.53) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL697406 | 0.75 | HPGD (0.64) | ALDH1A1HPGDCDC25BCDC25ACDC25C | |
| SCHEMBL9398072 | 0.75 | ALDH1A1 (0.73) | ALDH1A1HPGDCDC25BCDC25ACDC25C |
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-3456711-A1 | CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2019-03-20 | — | — | EP | disclosed |