Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29775990 | 0.81 | CYP2C9 (0.41) | ERN1ALDH1A1CYP2D6CYP2C9MEN1 | |
| SCHEMBL7266136 | 0.81 | CYP2C9 (0.41) | ERN1ALDH1A1CYP2D6CYP2C9MEN1 | |
| SCHEMBL953686 | 0.79 | ERN1 (0.44) | ERN1ALDH1A1TSHRCYP2C9AOX1 | |
| SCHEMBL453409 | 0.78 | ERN1 (0.43) | ERN1ALDH1A1TSHRAOX1MEN1 | |
| SCHEMBL31813608 | 0.78 | ERN1 (0.43) | ERN1ALDH1A1TSHRAOX1MEN1 | |
| SCHEMBL16049057 | 0.77 | ALDH1A1 (0.43) | ERN1ALDH1A1TSHRAOX1PRKDC | |
| SCHEMBL14147613 | 0.76 | ERN1 (0.42) | ERN1ALDH1A1TSHRAOX1MEN1 | |
| SCHEMBL9431662 | 0.76 | ERN1 (0.50) | ERN1ALDH1A1TSHRAOX1MEN1 | |
| SCHEMBL22902565 | 0.76 | ERN1 (0.42) | ERN1ALDH1A1TSHRAOX1MEN1 | |
| SCHEMBL2253680 | 0.76 | ERN1 (0.42) | ERN1ALDH1A1TSHRAOX1MEN1 |
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-0174131-A2 | Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them | FISONS plc (GB) | 1986-03-12 | — | — | EP | disclosed |