Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18006556 | 0.83 | CYP2D6 (0.51) | TRPA1CYP2D6SRCAPAF1GABBR2 | |
| SCHEMBL148756 | 0.82 | TRPA1 (0.48) | TRPA1CYP2D6SRCGABBR2GABBR1 | |
| Carbamic Acid SCHEMBL7292389 | 0.81 | CYP2D6 (0.57) | CYP2D6SRCGABBR2GABBR1LMNA | |
| Malonic Acid SCHEMBL18006516 | 0.79 | GABBR2 (0.52) | CYP2D6SRCGABBR2GABBR1LMNA | |
| SCHEMBL742350 | 0.78 | CYP1A2 (0.54) | TRPA1CYP2D6GABBR2GABBR1LMNA | |
| Benzoic Acid SCHEMBL14955665 | 0.78 | TSHR (0.58) | CYP2D6SRCGABBR2GABBR1LMNA | |
| Phosphonic Acid SCHEMBL29019105 | 0.77 | GSR (0.44) | TRPA1CYP2D6SRCGABBR2GABBR1 | |
| Boric Acid SCHEMBL21356833 | 0.76 | TRPA1 (0.43) | TRPA1CYP2D6SRCGABBR2GABBR1 | |
| SCHEMBL28431897 | 0.76 | TRPA1 (0.43) | TRPA1CYP2D6SRCGABBR2GABBR1 | |
| SCHEMBL4445085 | 0.76 | GABBR2 (0.48) | TRPA1CYP2D6GABBR2GABBR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107210197-B | Hybrid topography and chemical pre-patterning for directed self-assembly of block copolymers | 国际商业机器公司 | 2020-06-19 | — | — | CN | disclosed |