Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL1034874 | 0.78 | PARP1 (0.62) | PARP1PARP2SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL317958 | 0.77 | NQO2 (0.58) | SMN1; SMN2MAPTALDH1A1GAAHDAC6 | |
| SCHEMBL7111338 | 0.75 | PARP1 (0.80) | PARP1PARP2ALDH1A1 | |
| SCHEMBL31353202 | 0.75 | PARP1 (0.59) | PARP1PARP2SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL8677705 | 0.75 | TLR9 (0.45) | PARP1PARP2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9225858 | 0.75 | TDO2 (0.49) | PARP1SMN1; SMN2MAPTALDH1A1RAB9A | |
| SCHEMBL9885994 | 0.73 | MET (0.54) | PARP1PARP2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3961416 | 0.73 | LMNA (0.46) | SMN1; SMN2MAPTALDH1A1GAAHDAC6 | |
| SCHEMBL8967010 | 0.72 | MET (0.44) | PARP1MAPTALDH1A1HTTNPSR1 | |
| SCHEMBL13019019 | 0.72 | NPC1 (0.53) | PARP1PARP2SMN1; SMN2MAPTALDH1A1 |
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-0630895-A1 | 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-12-28 | — | — | EP | disclosed |