Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.45 |
| ▸ | FEN1 | P39748 | 2/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7801644 | 0.88 | SCN9A (0.55) | CA12CA1CA2CA4CA9 | |
| SCHEMBL7112362 | 0.86 | F10 (0.51) | CA12CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL6066493 | 0.85 | CA1 (0.52) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8350056 | 0.84 | CA1 (0.54) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22588242 | 0.83 | SCN9A (0.53) | CA12CA1CA2CA4CA6 | |
| SCHEMBL890792 | 0.80 | CA1 (0.52) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30940556 | 0.80 | CA1 (0.52) | CA12CA1CA2CA4CA6 | |
| SCHEMBL4442675 | 0.80 | SCN9A (0.52) | CA12CA1CA2CA4CA9 | |
| SCHEMBL7266847 | 0.79 | ALOX5AP (0.55) | MAOBALOX5APFEN1 | |
| SCHEMBL48885 | 0.78 | CA2 (0.52) | CA12CA1CA2CA4CA6 |
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-2003101381-A2 | 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2003-12-11 | — | — | WO | disclosed |