Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14523920 | 0.88 | ELANE (0.44) | CES2CES1CA4RAB9AALDH1A1 | |
| SCHEMBL6666273 | 0.85 | CES2 (0.44) | CES2CES1CYP3A4NPC1RAB9A | |
| SCHEMBL6667096 | 0.84 | NPC1 (0.49) | CES2CES1BCHENPC1RAB9A | |
| SCHEMBL6667274 | 0.83 | ELANE (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL6664998 | 0.83 | L3MBTL1 (0.44) | CES2CES1SMN1; SMN2ALDH1A1PKM | |
| SCHEMBL6663947 | 0.79 | MAPT (0.45) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL9363320 | 0.79 | NPC1 (0.45) | CES2CES1BCHECYP3A4NFKB1 | |
| SCHEMBL9130454 | 0.78 | CES2 (0.54) | CES2CES1CA4BCHECYP3A4 | |
| Anethole SCHEMBL6413238 | 0.76 | ALDH1A1 (0.62) | CES2CES1BCHECYP3A4NFKB1 | |
| SCHEMBL10616145 | 0.75 | MAPT (0.39) | CA4BCHECYP3A4GAANPC1 |
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-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |