Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP9 | P55211 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.44 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20218953 | 0.79 | NPC1 (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8661501 | 0.75 | CES1 (0.47) | CASP7PDPK1PARP1PARP10PARP11 | |
| SCHEMBL4490831 | 0.73 | LRRK2 (0.51) | NPSR1GSK3BALDH1A1KDM4EMAPT | |
| SCHEMBL20707948 | 0.72 | — | — | |
| SCHEMBL9025701 | 0.71 | TDP2 (0.68) | CASP7PDPK1PARP1PARP10PARP11 | |
| SCHEMBL2086488 | 0.70 | NPC1 (0.62) | CASP7PDPK1PARP1PARP10PARP11 | |
| SCHEMBL9448441 | 0.69 | MAPT (0.44) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8202408 | 0.69 | KDM4E (0.38) | CASP7PARP1TDP2CASP3CASP9 | |
| Ammonia Solution, Strong SCHEMBL26977357 | 0.68 | MAPT (0.43) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL30252240 | 0.68 | CES1 (0.50) | PDPK1PARP1PARP10PARP11SRD5A1 |
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-0777660-A1 | NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-06-11 | — | — | EP | disclosed |