Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8022916 | 0.79 | HSD17B3 (0.43) | TYRCYP3A4TSHRRECQLMAPT | |
| SCHEMBL3444233 | 0.79 | TYR (0.39) | TYREGFRHTR2CTSHRALDH1A1 | |
| SCHEMBL9578764 | 0.76 | PNMT (0.31) | — | |
| SCHEMBL772938 | 0.76 | EGFR (0.50) | ABATENPP2TYREGFRHTR2C | |
| SCHEMBL9386903 | 0.76 | HTR2C (0.46) | TYREGFRHTR2CCYP3A4TSHR | |
| Bromide SCHEMBL11674225 | 0.74 | EGFR (0.48) | ABATENPP2TYREGFRHTR2C | |
| SCHEMBL28066602 | 0.74 | HRH3 (0.40) | ABATENPP2TAAR1LOXL2 | |
| SCHEMBL8521398 | 0.74 | CA14 (0.43) | ABATENPP2TYREGFRHTR2C | |
| Hydrochloric Acid SCHEMBL3562527 | 0.74 | EGFR (0.48) | ABATENPP2TYREGFRHTR2C | |
| SCHEMBL6522032 | 0.74 | TYR (0.46) | TYREGFRHTR2CCYP3A4TSHR |
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-3996383-A | 3-Alkylamino-α-aminomethyl-4-hydroxybenzyl alcohols with β-adrenergic stimulant activity | SMITHKLINE CORPORATION (US) | 1976-12-07 | — | — | US | disclosed |
| US-3943173-A | 3-Alkylamino- alpha-aminomethyl-4-hydroxybenzyl alcohols | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |