Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TYMS | P04818 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | MMP8 | P22894 | 3/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25317041 | 1.00 | LMNA (0.51) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL29397532 | 0.77 | HTT (0.56) | LMNAHTTALDH1A1MMP2MMP9 | |
| SCHEMBL22963743 | 0.77 | HTT (0.56) | LMNAHTTALDH1A1MMP2MMP9 | |
| SCHEMBL14474322 | 0.76 | ALDH1A1 (0.54) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL25317192 | 0.75 | EGFR (0.54) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL30493647 | 0.75 | EGFR (0.54) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL1544619 | 0.73 | PLAUR (0.59) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL25318611 | 0.73 | KDM4E (0.62) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL30493540 | 0.73 | KDM4E (0.62) | LMNARAB9AHTTEGFRALDH1A1 | |
| SCHEMBL24157376 | 0.71 | TYMS (0.33) | HTTALDH1A1TYMSCYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116425744-A | Piperazine-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof | 优领医药科技(香港)有限公司 | 2023-07-14 | — | — | CN | disclosed |