Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11753911 | 1.00 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11405441 | 0.88 | POLB (0.41) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11755459 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11755467 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11411641 | 0.85 | MAPT (0.51) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11404357 | 0.84 | ADRB2 (0.47) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11754064 | 0.84 | ADRB2 (0.47) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL11758160 | 0.81 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3CYP2D6MAPT | |
| SCHEMBL11403374 | 0.81 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3CYP2D6MAPT | |
| SCHEMBL9749339 | 0.80 | ADRB2 (0.45) | ADRB2ADRB1ADRB3 |
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-4031125-A | 3-Sulfonate ester of 2,3-dihydroxypropylamine | MERCK & CO., INC. (US) | 1977-06-21 | — | — | US | disclosed |
| US-3962338-A | Novel methods and compounds employed therein | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |