Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7313076 | 0.86 | CYP2D6 (0.47) | CYP2D6KMT2ASMN1; SMN2MEN1ADRB2 | |
| SCHEMBL7307918 | 0.80 | CYP2D6 (0.76) | CYP2D6KMT2AMEN1ADRB2ADRB1 | |
| SCHEMBL7315332 | 0.79 | ADRB2 (0.60) | CYP2D6KMT2AMEN1ADRB2ADRB1 | |
| SCHEMBL11127254 | 0.78 | SMN1; SMN2 (0.61) | KMT2ASMN1; SMN2CA1CA2CA7 | |
| SCHEMBL7319792 | 0.77 | CYP2D6 (0.60) | CYP2D6KMT2AMEN1ADRB2ADRB1 | |
| SCHEMBL7315986 | 0.76 | ADRB3 (0.62) | KMT2ASMN1; SMN2MEN1ADRB2ADRB1 | |
| SCHEMBL7310868 | 0.75 | ADRB2 (0.71) | CYP2D6KMT2ASMN1; SMN2MEN1ADRB2 | |
| SCHEMBL20883372 | 0.75 | KMT2A (0.55) | KMT2ASMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL6074194 | 0.74 | PTGS1 (0.57) | KMT2ASMN1; SMN2ADRB2ADRB1ADRB3 | |
| SCHEMBL6074318 | 0.74 | PTGS1 (0.57) | KMT2ASMN1; SMN2ADRB2ADRB1ADRB3 |
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-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | US | disclosed |
| US-4171370-A | Phenoxy-amino-propanols | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-10-16 | — | — | US | disclosed |