Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10944914 | 0.76 | AMY1A (0.51) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL954941 | 0.75 | TAAR1 (0.54) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL11291001 | 0.75 | TAAR1 (0.54) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL29713830 | 0.74 | ALDH1A1 (0.52) | ALOX15ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL224889 | 0.74 | ALDH1A1 (0.52) | ALOX15ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL958901 | 0.73 | TAAR1 (0.51) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL7969459 | 0.72 | HTR1D (0.52) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL8051573 | 0.71 | ADRA2A (0.59) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL1509682 | 0.71 | TAAR1 (0.67) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL29751822 | 0.70 | ADRA2A (0.62) | TAAR1HTR1AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0104572-A1 | Benzyl ethers of phenol Mannich bases, process for their production, their use and pharmaceutical preparations based on these compounds, intermediates and process for their production | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-04 | — | — | EP | disclosed |