Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL8342957 | 0.95 | ALDH1A1 (0.45) | ALDH1A1MGLLHCAR2TP53CYP3A4 | |
| SCHEMBL7968913 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MGLLTP53CYP3A4 | |
| SCHEMBL7971090 | 0.89 | TSHR (0.44) | ALDH1A1MGLLHCAR2CYP3A4HPGD | |
| SCHEMBL7957132 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MGLLHCAR2TP53CYP3A4 | |
| SCHEMBL7971611 | 0.87 | ALDH1A1 (0.59) | ALDH1A1MGLLHCAR2TP53CYP3A4 | |
| SCHEMBL1219539 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MGLLTP53CYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL1486032 | 0.85 | HCAR2 (0.47) | ALDH1A1HCAR2TP53CYP3A4HPGD | |
| SCHEMBL7968471 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MGLLHCAR2TP53CYP3A4 | |
| SCHEMBL7968697 | 0.84 | ALDH1A1 (0.45) | ALDH1A1MGLLTP53CYP3A4HPGD | |
| SCHEMBL7958391 | 0.83 | MGLL (0.43) | MGLLHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6180691-B1 | MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC | XEROX CORPORATION | 2001-01-30 | — | — | US | disclosed |