Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 11/20 | 0.63 |
| ▸ | HTR1A | P08908 | 9/20 | 0.60 |
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | DRD3 | P35462 | 2/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582011 | 0.84 | ALDH1A1 (0.73) | ADRA1BHTR1ADRD3ADRA1AADRA1D | |
| SCHEMBL11214631 | 0.82 | ADRA1B (0.61) | ADRA1BHTR1AADRA1AADRA1DUSP2 | |
| SCHEMBL9565812 | 0.81 | DRD2 (0.79) | ADRA1BHTR1ADRD2DRD3ADRA1A | |
| SCHEMBL6580326 | 0.78 | ADRA1B (0.72) | ADRA1BHTR1AADRA1AADRA1D | |
| SCHEMBL6577748 | 0.78 | ADRA1B (1.00) | ADRA1BHTR1AADRA1AADRA1D | |
| SCHEMBL28513930 | 0.78 | DRD2 (0.60) | HTR1ADRD2DRD3ALDH1A1MAPT | |
| SCHEMBL6497356 | 0.77 | DRD2 (0.55) | ADRA1BDRD2DRD3ALDH1A1MAPK1 | |
| SCHEMBL16129032 | 0.76 | MAPT (0.62) | DRD2DRD3ALDH1A1MAPK1MEN1 | |
| SCHEMBL22546968 | 0.76 | DRD2 (0.57) | ADRA1BHTR1ADRD2DRD3ADRA1A | |
| SCHEMBL6577505 | 0.76 | ADRA1B (0.55) | ADRA1BHTR1ADRD3ADRA1AADRA1D |
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-0094159-B1 | DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1990-03-14 | — | — | EP | disclosed |
| US-4892875-A | HYPOTENSIVE, RENAL VASODILATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-01-09 | — | — | US | disclosed |
| EP-0094159-A1 | Dihydropyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1983-11-16 | — | — | EP | disclosed |