Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 15/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.54 |
| ▸ | DRD3 | P35462 | 3/20 | 0.54 |
| ▸ | HTR2B | P41595 | 3/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11875771 | 0.91 | ADRB2 (0.53) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11878888 | 0.89 | ADRB3 (0.54) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11873813 | 0.88 | ADRB2 (0.70) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11880976 | 0.83 | ADRB2 (0.60) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL18964651 | 0.83 | ADRB1 (0.78) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11873820 | 0.82 | ADRB2 (0.65) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11876927 | 0.79 | ADRB2 (0.58) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11880968 | 0.79 | ADRB2 (0.60) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| SCHEMBL11481741 | 0.78 | ADRB2 (0.62) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL11538393 | 0.77 | ADRB2 (0.63) | ADRB2ADRB1ADRA1DADRA1ACYP2D6 |
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-3943254-A | ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |