Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288178 | 0.85 | ALDH1A1 (0.37) | POLBCES2CES1 | |
| SCHEMBL1809 | 0.79 | — | — | |
| SCHEMBL23303381 | 0.74 | LMNA (0.31) | POLBCES2CES1LMNA | |
| SCHEMBL28103325 | 0.73 | — | — | |
| SCHEMBL2332592 | 0.69 | HPGD (0.46) | CES2CES1HDAC3LMNA | |
| SCHEMBL989057 | 0.69 | SMN1; SMN2 (0.42) | CES2CES1LMNA | |
| Benzoic Acid SCHEMBL15968418 | 0.68 | TSHR (0.64) | CES2CES1LMNA | |
| SCHEMBL4629579 | 0.67 | HSD17B3 (0.44) | CES2CES1HDAC3LMNA | |
| SCHEMBL10863575 | 0.67 | CCR2 (0.35) | — | |
| SCHEMBL130905 | 0.66 | ALDH1A1 (0.58) | LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272694-B1 | 2-DITHIOALKYL-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-03-18 | — | — | EP | claimed |
| EP-0272694-A1 | 2-Dithioalkyl-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-29 | — | — | EP | claimed |