Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3SLC6A2
The experimentally established mechanism targets of Racephedrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.67 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.63 |
| ▸ | RGS12 | O14924 | 1/20 | 0.63 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | PKM | P14618 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | THPO | P40225 | 1/20 | 0.63 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Pseudoephedrine SCHEMBL8733656 | 1.00 | ALDH1A1 (0.67) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Stearic Acid SCHEMBL2369752 | 0.90 | ALDH1A1 (0.69) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Decanoic Acid SCHEMBL2370923 | 0.90 | ALDH1A1 (0.69) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Stearic Acid SCHEMBL2369756 | 0.90 | ALDH1A1 (0.69) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Decanoic Acid SCHEMBL2370921 | 0.90 | ALDH1A1 (0.69) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Racephedrine SCHEMBL8728630 | 0.88 | ADRA2C (0.71) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Pseudoephedrine SCHEMBL8728628 | 0.88 | ADRA2C (0.71) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Racephedrine SCHEMBL2081241 | 0.85 | ADRA2C (0.71) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Pseudoephedrine SCHEMBL2081239 | 0.85 | ADRA2C (0.71) | ALDH1A1ASAH1ACER2CHRM2ADRA1A | |
| Racephedrine SCHEMBL8017708 | 0.85 | ADRA2C (0.71) | ALDH1A1ASAH1ACER2CHRM2ADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751927-A4 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INST OF TECHN (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0751927-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5488131-A | Synthesis of compounds with predetermined chirality | CALIFORNIA INSTITUTE OF TECHNOLOGY | 1996-01-30 | — | — | US | disclosed |
| WO-1995025714-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-09-28 | — | — | WO | disclosed |