Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 9/20 | 0.55 |
| ▸ | CES1 | P23141 | 8/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMO | Q99835 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29972427 | 0.88 | CES2 (0.67) | CES2CES1ALDH1A1RAB9ATSHR | |
| SCHEMBL24043882 | 0.85 | CES2 (0.53) | CES2CES1ALDH1A1HSP90AA1NPC1 | |
| SCHEMBL29468149 | 0.84 | CES2 (0.78) | CES2CES1ALDH1A1SMONPC1 | |
| SCHEMBL2225523 | 0.84 | CES2 (0.78) | CES2CES1ALDH1A1SMONPC1 | |
| SCHEMBL27803960 | 0.83 | AKR1C3 (0.53) | CES2CES1ALDH1A1SMOGAA | |
| SCHEMBL2930892 | 0.80 | ALDH1A1 (0.68) | CES2CES1ALDH1A1CYP2A6GAA | |
| Urea SCHEMBL28476564 | 0.79 | CES2 (0.69) | CES2CES1ALDH1A1SMONPC1 | |
| SCHEMBL5076702 | 0.79 | TSHR (0.62) | CES2CES1ALDH1A1SMOTSHR | |
| SCHEMBL2141156 | 0.79 | CES2 (0.54) | CES2CES1ALDH1A1HSP90AA1HPGD | |
| SCHEMBL8802307 | 0.79 | CES2 (0.39) | CES2CES1ALDH1A1SMOPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| CN-86107695-A | The 3-piperidine carboxylic acid of different nitrogen-replacements or the 3-pyridine carboxylic acid of nitrogen-replacement and their derivative | — | 1987-05-13 | — | — | CN | disclosed |