Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GLA | P06280 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.50 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.50 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 7/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11877354 | 0.85 | CACNA1F (0.54) | CACNA1FCACNA1DCACNA1SCACNA1CPOLB | |
| SCHEMBL11772259 | 0.83 | KDM4E (0.76) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL14262742 | 0.82 | ADORA3 (0.51) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL3026966 | 0.80 | ABCC1 (0.71) | KDM4EALDH1A1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL11773488 | 0.79 | CACNA1F (0.56) | CACNA1FCACNA1DCACNA1SCACNA1CPOLB | |
| SCHEMBL27542996 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL9668520 | 0.77 | HIF1A (0.69) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL5856709 | 0.77 | CACNA1B (0.66) | CACNA1B | |
| SCHEMBL7266484 | 0.76 | CACNA1B (0.73) | CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B | |
| SCHEMBL11526085 | 0.76 | ABCC1 (0.61) | CACNA1FCACNA1DCACNA1SCACNA1CPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-3943140-A | HYPOTENSIVE, VASODILATION | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-09 | — | — | US | claimed |
| US-3946028-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3946027-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |