Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 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 |
| ▸ | 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 | 8/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 8/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 8/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10567349 | 0.84 | ADORA3 (0.52) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL10692954 | 0.84 | ADORA3 (0.53) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL11784686 | 0.78 | KMT2A (0.65) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL10691979 | 0.77 | LMNA (0.61) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL8512764 | 0.76 | KMT2A (0.54) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL10685863 | 0.75 | ADRA2A (0.51) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL10488409 | 0.75 | HIF1A (0.60) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL11785895 | 0.74 | CACNA1F (0.48) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL11781962 | 0.74 | KMT2A (0.51) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL11784675 | 0.74 | KMT2A (0.69) | ADORA3HIF1AKMT2ACYP1A2CYP3A4 |
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-3968117-A | CARDIOVASCULAR | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | disclosed |
| US-3959296-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |