Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16712227 | 0.92 | CYP2D6 (0.56) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL16080347 | 0.91 | CYP2D6 (0.55) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL8084511 | 0.91 | CYP2D6 (0.55) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL10208790 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL13967490 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL10210003 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL14779900 | 0.87 | CYP2D6 (0.60) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL16712229 | 0.87 | CYP2D6 (0.51) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL8744478 | 0.84 | CYP2D6 (0.60) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 | |
| SCHEMBL8744474 | 0.84 | CYP2D6 (0.60) | CYP2D6CYP1A2ACHECYP3A4CYP2C19 |
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-4454274-A | Aminoplast curable coating compositions containing cycloaliphatic sulfonic acid esters as latent acid catalysts | PPG INDUSTRIES, INC. (US) | 1984-06-12 | — | — | US | disclosed |