Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25280291 | 0.89 | ALDH1A1 (0.55) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL7878129 | 0.87 | CA2 (0.46) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL29070675 | 0.84 | PRSS1 (0.52) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL108345 | 0.84 | TSHR (0.44) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL29523183 | 0.84 | TSHR (0.44) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL8959367 | 0.83 | CA2 (0.46) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL4581810 | 0.82 | ALDH1A1 (0.48) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| Acetone SCHEMBL10535239 | 0.81 | TSHR (0.41) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL14989251 | 0.81 | CA2 (0.44) | CYP3A4ALDH1A1CA2TSHRTDP1 | |
| SCHEMBL30515240 | 0.80 | ALDH1A1 (0.45) | ESR1CYP3A4ALDH1A1CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0178778-B1 | NOVEL PYROMELLITATE PLASTICIZERS AND VINYL CHLORIDE COMPOSITIONS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-02-27 | — | — | EP | disclosed |
| EP-0178778-A1 | Novel Pyromellitate plasticizers and vinyl chloride compositions | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-04-23 | — | — | EP | disclosed |
| US-4543420-A | Pyromellitate plasticizers and vinyl chloride | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-09-24 | — | — | US | disclosed |