Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL626418 | 0.84 | GSK3B (0.46) | GSK3BALDH1A1KDM4EGAAHPGD | |
| SCHEMBL19245114 | 0.84 | GSK3B (0.39) | GSK3BALDH1A1KDM4EGAAHPGD | |
| Iodide SCHEMBL2495412 | 0.83 | GSK3B (0.45) | GSK3BALDH1A1KDM4EGAAHPGD | |
| SCHEMBL19860962 | 0.80 | DAO (0.43) | GSK3BALDH1A1KDM4EGAAHPGD | |
| Acrylic Acid SCHEMBL11605192 | 0.76 | KDM4E (0.44) | GSK3BALDH1A1KDM4EGAAHPGD | |
| SCHEMBL18885290 | 0.76 | MEN1 (0.41) | ALDH1A1KDM4EGAAHPGDCASP3 | |
| SCHEMBL22746641 | 0.74 | MAPT (0.38) | ALDH1A1KDM4EHPGDMAPTKMT2A | |
| SCHEMBL18820925 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20258458 | 0.72 | DRD2 (0.33) | — | |
| SCHEMBL8577337 | 0.71 | KDM4E (0.45) | GSK3BALDH1A1KDM4EGAAHPGD |
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-1761537-B1 | PYRROLO[2,1-C][1,4]BENZODIAZEPINE-NAPTHALIMIDE CONJUGATES LINKED THROUGH PIPERAZINE MOIETY AND PROCESS FOR PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2011-08-03 | — | — | EP | disclosed |