Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 9/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9547860 | 0.81 | ESR1 (0.47) | LTA4HESR1SLC6A2CHRM1TSHR | |
| SCHEMBL43573 | 0.80 | — | — | |
| SCHEMBL9725762 | 0.78 | ESR1 (0.52) | LTA4HESR1SLC6A2CHRM1ALDH1A1 | |
| SCHEMBL1839615 | 0.78 | SLC6A2 (0.50) | LTA4HESR1SLC6A2CHRM1TSHR | |
| Ammonia Solution, Strong SCHEMBL2428841 | 0.77 | — | — | |
| SCHEMBL326941 | 0.77 | LTA4H (0.53) | LTA4HESR1SLC6A2NR5A1LMNA | |
| SCHEMBL9547839 | 0.77 | ESR1 (0.42) | LTA4HESR1SLC6A2CHRM1TSHR | |
| Hydroquinone SCHEMBL212722 | 0.75 | LTA4H (0.56) | LTA4HESR1SLC6A2CHRM1TSHR | |
| Ethylene Glycol SCHEMBL27888510 | 0.75 | HSD17B10 (0.39) | TSHRALDH1A1TDP1LMNAMAPT | |
| SCHEMBL3369539 | 0.75 | ADRB2 (0.54) | ESR1SLC6A2LMNAESR2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0598756-B1 | ESTER COMPOSITION | SHELL INT RESEARCH (NL) | 1996-06-05 | — | — | EP | disclosed |
| US-5332858-A | Esterification with active phenolic ether and chloroformyl group and active phenol | SHELL OIL COMPANY (US) | 1994-07-26 | — | — | US | disclosed |
| EP-0598756-A1 | ESTER COMPOSITION. | SHELL INT RESEARCH (NL) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002038-A1 | ESTER COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1993-02-04 | — | — | WO | disclosed |