Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7376394 | 0.70 | KDM4E (0.44) | KDM4EHSD17B10ALDH1A1HPGDCASP1 | |
| SCHEMBL2814544 | 0.70 | PKM (0.52) | PKMKDM4EBACE1ALDH1A1HPGD | |
| SCHEMBL7381464 | 0.69 | CACNA1B (0.33) | ALDH1A1CACNA1B | |
| SCHEMBL9806876 | 0.68 | KDM4E (0.71) | KDM4EHSD17B10ALDH1A1HPGDCASP1 | |
| SCHEMBL10644249 | 0.68 | FFAR3 (0.42) | KDM4EALDH1A1CACNA1B | |
| SCHEMBL16678705 | 0.65 | PKM (0.51) | PKMBACE1 | |
| SCHEMBL1204130 | 0.65 | PKM (0.52) | PKMKDM4EHSD17B10BACE1ALDH1A1 | |
| SCHEMBL3152267 | 0.65 | BACE1 (0.52) | PKMKDM4EHSD17B10BACE1ALDH1A1 | |
| SCHEMBL9401812 | 0.64 | CACNA1B (0.65) | PKMKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL17745192 | 0.63 | KDM4E (0.67) | PKMKDM4EHSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4735956-A | Certain 1,4-dihydro-2,6-di-lower hydrocarbyl-4-heterocyclic-3,5-pyridine dicarboxylates which are useful as calcium channel blockers | MERCK & CO., INC. (US) | 1988-04-05 | — | — | US | disclosed |