Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3
The experimentally established mechanism targets of Ephedrine. 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 | 0.48 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | RGS12 | O14924 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077840 | 0.86 | GABBR2 (0.49) | MAPTALDH1A1FNTAFNTBEEF2K | |
| SCHEMBL7077860 | 0.86 | GABBR2 (0.49) | MAPTALDH1A1FNTAFNTBEEF2K | |
| SCHEMBL7079059 | 0.78 | ALDH1A1 (0.45) | KMT2AMAPTALDH1A1POLBLMNA | |
| SCHEMBL8909238 | 0.77 | GABBR2 (0.56) | KMT2AMAPTALDH1A1KDM4ECYP2C19 | |
| SCHEMBL7073753 | 0.74 | GABBR2 (0.50) | KMT2AMAPTALDH1A1KDM4ELMNA | |
| Racephedrine SCHEMBL28507177 | 0.71 | CYP2D6 (0.76) | KMT2AMAPTALDH1A1POLBKDM4E | |
| Racephedrine SCHEMBL10995708 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1POLBKDM4E | |
| Racephedrine SCHEMBL41263 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1POLBKDM4E | |
| Racephedrine SCHEMBL41264 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1POLBKDM4E | |
| Ephedrine SCHEMBL547932 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1POLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003059872-A1 | AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-24 | — | — | WO | disclosed |