Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.79 |
| ▸ | HTR1A | P08908 | 4/20 | 0.79 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.79 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | DRD1 | P21728 | 2/20 | 0.79 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.79 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LIPA | P38571 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11405827 | 1.00 | CYP2D6 (0.79) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11418519 | 0.99 | CYP2D6 (0.78) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| SCHEMBL11750183 | 0.89 | ADRB2 (0.78) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| SCHEMBL11750171 | 0.89 | ADRB2 (0.78) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| SCHEMBL11418535 | 0.88 | ADRB2 (0.76) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Timolol SCHEMBL222970 | 0.88 | CYP1A2 (1.00) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Timolol SCHEMBL4912 | 0.88 | CYP1A2 (1.00) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Timolol SCHEMBL2553603 | 0.88 | CYP1A2 (1.00) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Timolol SCHEMBL1587691 | 0.88 | CYP1A2 (1.00) | CYP2D6HTR1AADRB2ADRB1CYP1A2 | |
| Timolol SCHEMBL7591293 | 0.87 | CYP1A2 (0.98) | CYP2D6HTR1AADRB2ADRB1CYP1A2 |
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 1 patent. 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 |