Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 4/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | CPA3 | P15088 | 3/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL8076867 | 0.85 | EPHX2 (0.53) | PPARGEPHX2PPARA | |
| SCHEMBL29263766 | 0.81 | EPHX2 (0.53) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL8081393 | 0.81 | HSD17B10 (0.48) | CYP1A2MMP8ALDH1A1ALPIPKM | |
| SCHEMBL117431 | 0.80 | CYP1A2 (0.60) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL3504311 | 0.80 | EPHX2 (0.70) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL7758354 | 0.79 | CYP1A2 (0.58) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL17617234 | 0.79 | CYP1A2 (0.58) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL27463838 | 0.79 | CYP1A2 (0.58) | CYP1A2PPARGEPHX2CPA3CPA1 | |
| SCHEMBL9848638 | 0.78 | CYP1A2 (0.57) | CYP1A2CPA3CPA1FOLH1CPB1 | |
| SCHEMBL8076967 | 0.78 | CYP1A2 (0.53) | CYP1A2PPARGEPHX2CPA3CPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1031629-A2 | Method of preparation of stereoisomeric carboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-30 | — | — | EP | disclosed |