Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | APEX1 | P27695 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7145488 | 0.74 | ADRA2A (0.43) | CYP3A4APEX1TDP1MAPTRECQL | |
| SCHEMBL28287558 | 0.73 | CYP3A4 (0.34) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2737360 | 0.71 | GABRA1 (0.37) | LMNASMN1; SMN2 | |
| SCHEMBL2217031 | 0.70 | GABBR2 (0.38) | CYP3A4CYP2D6TDP1BLMKMT2A | |
| SCHEMBL23971500 | 0.69 | ESR1 (0.36) | ADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL15811782 | 0.69 | ADRB2 (0.59) | CYP3A4APEX1TDP1MAPTRECQL | |
| SCHEMBL22647308 | 0.69 | PDE2A (0.34) | RECQLLMNAKCNH2 | |
| SCHEMBL9722625 | 0.69 | BLM (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16712972 | 0.69 | PDE2A (0.32) | KCNH2 | |
| SCHEMBL24178867 | 0.69 | RECQL (0.30) | RECQLADRA2CLMNA |
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-5106986-A | PREPARATION OF AMINOETHANOL DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-21 | — | — | US | disclosed |
| EP-0450180-A2 | Process for the preparation of aminoethanol derivatives | BAYER AG (DE) | 1991-10-09 | — | — | EP | disclosed |