Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 12/20 | 0.75 |
| ▸ | ADRA2A | P08913 | 9/20 | 0.75 |
| ▸ | ADRA2B | P18089 | 9/20 | 0.75 |
| ▸ | ADRA2C | P18825 | 9/20 | 0.75 |
| ▸ | ADRA1D | P25100 | 9/20 | 0.75 |
| ▸ | ADRA1B | P35368 | 9/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL10414967 | 0.95 | ADRA1A (0.68) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7538582 | 0.88 | MAPT (0.67) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10415936 | 0.87 | ADRA1A (0.70) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10414987 | 0.87 | ADRA1A (0.64) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL10416472 | 0.86 | ADRA1A (0.71) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Water SCHEMBL10416427 | 0.86 | ADRA1A (0.66) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10414990 | 0.85 | ADRA1A (0.63) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10414988 | 0.85 | ADRA1A (0.63) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10416416 | 0.84 | ADRA1A (0.65) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10416447 | 0.84 | ADORA3 (0.62) | ADRA1AADRA2AADRA2BADRA2CADRA1D |
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-4755512-A | Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities | BRISTOL-MYERS COMPANY (US) | 1988-07-05 | — | — | US | claimed |
| US-4895846-A | CARDIOVASCULAR DISORDERS | BRISTOL-MYERS COMPANY (US) | 1990-01-23 | — | — | US | disclosed |
| US-4755512-A | Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities | BRISTOL-MYERS COMPANY (US) | 1988-07-05 | — | — | US | disclosed |