Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | IL1B | P01584 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29105646 | 0.95 | BACE1 (0.36) | KDM4EHSD17B10CASP1CACNA1BBACE1 | |
| SCHEMBL30162810 | 0.90 | BACE1 (0.38) | KDM4EHSD17B10CASP1BACE1PDE1C | |
| SCHEMBL22400637 | 0.90 | BACE1 (0.38) | KDM4EHSD17B10CASP1BACE1PDE1C | |
| SCHEMBL22400440 | 0.90 | ELANE (0.33) | KDM4EHSD17B10BACE1IKBKBCHUK | |
| SCHEMBL29105618 | 0.84 | KDM4E (0.41) | KDM4EHSD17B10CASP1CACNA1BPDE1C | |
| SCHEMBL20954203 | 0.83 | KDM4E (0.51) | KDM4EHSD17B10CACNA1BPDE1CALDH1A1 | |
| SCHEMBL30489840 | 0.83 | KDM4E (0.51) | KDM4EHSD17B10CACNA1BPDE1CALDH1A1 | |
| SCHEMBL20954210 | 0.81 | CAMKK1 (0.34) | KDM4EIKBKBCHUKLIMK1ALDH1A1 | |
| SCHEMBL10372864 | 0.81 | KDM4E (0.39) | KDM4EHSD17B10CASP1CACNA1BBACE1 | |
| SCHEMBL20954247 | 0.79 | PDE1C (0.45) | KDM4EHSD17B10CASP1PDE1CALDH1A1 |
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-0217530-B1 | DIHYDROPYRIDINES | ELI LILLY AND COMPANY (US) | 1990-10-31 | — | — | EP | disclosed |
| US-4659717-A | CAUSING VASODILATION | ELI LILLY AND COMPANY (US) | 1987-04-21 | — | — | US | disclosed |
| EP-0217530-A1 | Dihydropyridines | ELI LILLY AND COMPANY (US) | 1987-04-08 | — | — | EP | disclosed |