Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL20130611 | 0.86 | ADRA1A (0.54) | CACNA1BADORA3ADRA1AADRA2AADRA2B | |
| SCHEMBL8286958 | 0.85 | ADRA1A (0.53) | CACNA1BADORA3ADRA1AADRA2AADRA2B | |
| SCHEMBL10365161 | 0.85 | CACNA1B (0.61) | CACNA1BADORA3ADRA1AADRA2AADRA2B | |
| SCHEMBL7347758 | 0.84 | GAA (0.52) | CACNA1BADORA3ADRA1AADRA2AADRA2B | |
| Manidipine 6300 SCHEMBL678249 | 0.84 | MAPT (0.68) | ADORA3ADRA1AADRA2AADRA2BADRA2C | |
| Manidipine 6300 SCHEMBL29801590 | 0.84 | MAPT (0.70) | ADORA3ADRA1AADRA2AADRA2BADRA2C | |
| Manidipine 6300 SCHEMBL247471 | 0.84 | MAPT (0.70) | ADORA3ADRA1AADRA2AADRA2BADRA2C | |
| Manidipine 6300 SCHEMBL49368 | 0.84 | MAPT (0.70) | ADORA3ADRA1AADRA2AADRA2BADRA2C | |
| Manidipine 6300 SCHEMBL6275097 | 0.83 | ADRA1A (0.71) | ADORA3ADRA1AADRA2AADRA2BADRA2C | |
| Manidipine 6300 SCHEMBL1491200 | 0.83 | ADRA1A (0.71) | ADORA3ADRA1AADRA2AADRA2BADRA2C |
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 |