Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.44 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9837171 | 1.00 | TSHR (0.45) | TSHRHPGDHCAR2PLA2G2CACHE | |
| SCHEMBL11048980 | 0.84 | ACHE (0.56) | TSHRHPGDHCAR2ACHEALDH1A1 | |
| SCHEMBL10670269 | 0.82 | NPSR1 (0.42) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| SCHEMBL10670285 | 0.82 | NPSR1 (0.42) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Ethylene Glycol SCHEMBL11048976 | 0.80 | ACHE (0.54) | TSHRHPGDHCAR2ACHEALDH1A1 | |
| SCHEMBL22588838 | 0.79 | ACHE (0.64) | ACHEEPHX1EPHX2 | |
| SCHEMBL10900619 | 0.77 | EPHX1 (0.58) | TSHRHPGDHCAR2ACHEALDH1A1 | |
| SCHEMBL19602219 | 0.77 | ACHE (0.50) | TSHRHPGDHCAR2ACHEEPHX1 | |
| SCHEMBL17845073 | 0.77 | ACHE (0.50) | TSHRHPGDHCAR2ACHEEPHX1 | |
| SCHEMBL9835100 | 0.77 | LMNA (0.38) | TSHRHCAR2ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0234776-B1 | PROCESS FOR 1,4-DIHYDROPYRIDINE COMPOUNDS | MERCK & CO. INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-4780538-A | REACTING AN AMINOALKENOATE WITH AN AROMATIC ALDEHYDE USING AN TITANAMINE CATALYST | MERCK & CO., INC. (US) | 1988-10-25 | — | — | US | disclosed |
| EP-0234776-A2 | Process for 1,4-dihydropyridine compounds | MERCK & CO. INC. (US) | 1987-09-02 | — | — | EP | disclosed |