Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | 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 SCHEMBL4865998 | 0.89 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL7970236 | 0.89 | TSHR (0.44) | ALDH1A1MGLLCYP3A4HPGDTSHR | |
| SCHEMBL7967625 | 0.88 | ALDH1A1 (0.61) | ALDH1A1MGLLCYP2D6CYP2C19TP53 | |
| SCHEMBL7970148 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C19TP53CYP3A4 | |
| SCHEMBL3069536 | 0.86 | ALDH1A1 (0.59) | ALDH1A1MGLLTP53CYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL1486045 | 0.86 | NPSR1 (0.38) | ALDH1A1CYP2D6CYP2C19TP53CYP3A4 | |
| SCHEMBL7957773 | 0.84 | MGLL (0.40) | ALDH1A1MGLL | |
| SCHEMBL7958173 | 0.84 | ALDH1A1 (0.42) | ALDH1A1MGLLTP53CYP3A4HPGD | |
| Ethylene SCHEMBL20476765 | 0.81 | ALDH1A1 (0.65) | ALDH1A1MGLLTP53CYP3A4HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL1486038 | 0.81 | CYP2D6 (0.39) | ALDH1A1CYP2D6CYP2C19HPGDTSHR |
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 |