Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 7/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20971165 | 1.00 | TGFBR1 (0.47) | TGFBR1GAAPARP1RECQLALDH1A1 | |
| SCHEMBL29630995 | 0.83 | ALOX5 (0.41) | TGFBR1PARP1ALDH1A1ALOX5PDPK1 | |
| SCHEMBL20971154 | 0.83 | ALOX5 (0.41) | TGFBR1PARP1ALDH1A1ALOX5PDPK1 | |
| SCHEMBL19692167 | 0.79 | GAA (0.47) | GAAPARP1ALDH1A1HTTPDPK1 | |
| SCHEMBL29627428 | 0.79 | GAA (0.47) | GAAPARP1ALDH1A1HTTPDPK1 | |
| SCHEMBL20971046 | 0.76 | LMNA (0.58) | PARP1ALDH1A1HTTLMNAMAPT | |
| SCHEMBL20971226 | 0.75 | PARP1 (0.48) | PARP1ALDH1A1HTTPDPK1CA12 | |
| SCHEMBL29631014 | 0.75 | PARP1 (0.48) | PARP1ALDH1A1HTTPDPK1CA12 | |
| SCHEMBL20971305 | 0.74 | MAPT (0.53) | PARP1ALDH1A1HTTLMNAMAPT | |
| SCHEMBL19692323 | 0.74 | ALDH1A1 (0.43) | PARP1ALDH1A1HTTPDPK1CA12 |
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-109563094-B | (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-03-18 | — | — | CN | disclosed |