Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | THPO | P40225 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10488517 | 0.97 | ADORA3 (0.53) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL10488477 | 0.95 | ADORA3 (0.61) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL7287257 | 0.92 | ADORA3 (0.53) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL9789920 | 0.91 | ADORA3 (0.52) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL9825000 | 0.90 | ADORA3 (0.54) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL10692951 | 0.89 | ADORA3 (0.53) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL9789816 | 0.88 | RAB9A (0.55) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL7406051 | 0.88 | ADORA3 (0.53) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL10922862 | 0.88 | CACNA1C (0.52) | ADORA3CACNA1CHIF1ACYP1A2CYP3A4 | |
| SCHEMBL10488507 | 0.87 | CACNA1C (0.52) | ADORA3CACNA1CCYP1A2CYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4873254-A | ADRENERGIC BLOCKING AGENTS OR CALCIUM CHANNEL BLOCKERS; HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-10-10 | — | — | US | disclosed |
| EP-0194751-A1 | Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-09-17 | — | — | EP | disclosed |