Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8674803 | 0.86 | CYP2D6 (0.35) | CYP2D6SPHK1GMNNLMNAPOLB | |
| SCHEMBL2350702 | 0.85 | — | — | |
| SCHEMBL6568736 | 0.85 | — | — | |
| SCHEMBL1067106 | 0.84 | CYP2D6 (0.48) | CYP2D6SPHK1GMNNLMNAPOLB | |
| SCHEMBL14753951 | 0.84 | CYP2D6 (0.48) | CYP2D6SPHK1GMNNLMNAPOLB | |
| SCHEMBL1408758 | 0.82 | — | — | |
| SCHEMBL14872061 | 0.82 | — | — | |
| SCHEMBL15528593 | 0.80 | — | — | |
| SCHEMBL14753869 | 0.80 | — | — | |
| SCHEMBL28839196 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001092237-A1 | OXALINE ESTERQUATS AND THEIR USE AS SOFTENERS AND BACTERICIDES | UNICHEMA CHEMIE BV (NL) | 2001-12-06 | — | — | WO | disclosed |