Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8730646 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8731538 | 0.97 | ALDH1A1 (0.41) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8731537 | 0.97 | ALDH1A1 (0.41) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8730602 | 0.97 | ALDH1A1 (0.41) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8730609 | 0.97 | ALDH1A1 (0.41) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL18911218 | 0.91 | ALDH1A1 (0.45) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8732753 | 0.83 | KDM4E (0.39) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8730650 | 0.83 | KDM4E (0.39) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8732755 | 0.83 | KDM4E (0.39) | ALDH1A1LMNATP53CYP3A4TSHR | |
| SCHEMBL8730656 | 0.83 | KDM4E (0.39) | ALDH1A1LMNATP53CYP3A4TSHR |
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-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |