Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6667392 | 0.87 | EPHX2 (0.38) | TSHREPHX2CES2THRBCYP2C19 | |
| SCHEMBL30523306 | 0.85 | ALDH1A1 (0.45) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL25856021 | 0.83 | CES2 (0.48) | ALDH1A1TSHREPHX2CES2THRB | |
| SCHEMBL25855954 | 0.83 | CES2 (0.47) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL20548069 | 0.83 | CES2 (0.52) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL1172675 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL11995924 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TSHRTHRBKDM4E | |
| SCHEMBL2865428 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL29525974 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHREPHX2GLAL3MBTL1 | |
| SCHEMBL22609510 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHREPHX2GLAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000512663-A | — | — | 2000-09-26 | — | — | JP | claimed |
| EP-1003469-A2 | FRAGRANCE PRECURSORS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 2000-05-31 | — | — | EP | claimed |
| WO-1997030687-A2 | FRAGRANCE PRECURSORS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-08-28 | — | — | WO | claimed |