Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.45 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836397 | 0.85 | NOTUM (0.45) | POLBTSHRGAAKDM4EKMT2A | |
| SCHEMBL5363492 | 0.80 | TSHR (0.74) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL11863359 | 0.75 | TSHR (0.67) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL9033145 | 0.72 | POLB (0.54) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL3905675 | 0.72 | ADORA3 (0.83) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL7920096 | 0.72 | ALDH1A1 (0.66) | POLBTSHRHSD17B10ADORA3KMT2A | |
| SCHEMBL9836195 | 0.70 | LMNA (0.53) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL10517002 | 0.70 | LMNA (0.53) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL7266889 | 0.69 | POLB (0.51) | POLBTSHRGAAHSD17B10KDM4E | |
| SCHEMBL6951320 | 0.69 | ADORA3 (0.76) | POLBTSHRGAAHSD17B10KDM4E |
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 |