Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15154559 | 0.94 | CASR (0.51) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL1742768 | 0.87 | AOC3 (0.50) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL4431450 | 0.85 | CASR (0.50) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL6204864 | 0.85 | L3MBTL1 (0.51) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL28759072 | 0.83 | ACHE (0.52) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL28201663 | 0.83 | AOC3 (0.47) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL11563492 | 0.83 | AOC3 (0.50) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL6204866 | 0.83 | AOC3 (0.56) | AOC3ACHEL3MBTL1CA1CA2 | |
| SCHEMBL8418152 | 0.83 | AOC3 (0.51) | AOC3ACHEL3MBTL1CASRTSHR | |
| SCHEMBL8418151 | 0.83 | AOC3 (0.51) | AOC3ACHEL3MBTL1CASRTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6440975-B1 | Amino acid derivatives, the preparation and use thereof as endothelin antagonists | ABBOTT LABORATORIES | 2002-08-27 | — | — | US | disclosed |
| EP-0874829-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997012878-A1 | AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-10 | — | — | WO | disclosed |