Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | PAM | P19021 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2137239 | 0.80 | GRIK1 (0.38) | CYP2D6SLC6A2SLC6A4BLMSLC6A3 | |
| SCHEMBL27871355 | 0.80 | GRIK1 (0.38) | CYP2D6SLC6A2SLC6A4BLMSLC6A3 | |
| SCHEMBL4280331 | 0.78 | SLC22A6 (0.43) | CYP2D6ALDH1A1ALOX15SLC6A2SLC6A4 | |
| SCHEMBL28518615 | 0.72 | — | — | |
| SCHEMBL29951485 | 0.72 | — | — | |
| SCHEMBL29955089 | 0.72 | — | — | |
| SCHEMBL29107159 | 0.71 | ALDH1A1 (0.52) | CYP2D6ALDH1A1ALOX15SLC22A6PAM | |
| SCHEMBL27778665 | 0.71 | ALDH1A1 (0.52) | CYP2D6ALDH1A1ALOX15SLC22A6PAM | |
| SCHEMBL8006389 | 0.71 | GPR84 (0.39) | CYP2D6ALDH1A1SLC6A2SLC6A4BLM | |
| SCHEMBL614027 | 0.70 | — | — |
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-4377451-A | Electrochemical conversion of conjugated dienes into alkadienedioic acids | SHELL OIL COMPANY (US) | 1983-03-22 | — | — | US | disclosed |