Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24931236 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL4407732 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| Hydrochloric Acid SCHEMBL6248395 | 0.98 | CYP3A4 (0.49) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| Hydrochloric Acid SCHEMBL6250414 | 0.98 | CYP3A4 (0.49) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL28615504 | 0.89 | ADRA2A (0.50) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL28615505 | 0.87 | ADRA2A (0.48) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL12199933 | 0.86 | CYP3A4 (0.58) | CYP3A4ALDH1A1LMNACYP19A1CYP2D6 | |
| SCHEMBL9700063 | 0.85 | ADRA2A (0.47) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL9700068 | 0.85 | ADRA2A (0.47) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA | |
| SCHEMBL19705616 | 0.85 | ADRA2A (0.47) | CYP3A4ALDH1A1ADRA2AADRA2CLMNA |
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-1442006-B1 | PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES | BOEHRINGER INGELHEIM CHEMICALS (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1442006-A2 | PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES | Boehringer Ingelheim Chemicals, Inc. (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037843-A2 | PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES | BOEHRINGER INGELHEIM CHEMICALS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |
| US-6399828-B1 | ACYLATION OF PHENYLPROPANOLAMINE; CATALYTIC HYDROGENATION | BOEHRINGER INGELHEIM CHEMICALS, INC. | 2002-06-04 | — | — | US | disclosed |