Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12168507 | 0.91 | CA12 (0.68) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL994350 | 0.91 | CA12 (0.68) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL13573434 | 0.89 | CA1 (0.53) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL12188566 | 0.87 | CA12 (0.65) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL13573435 | 0.85 | SCN9A (0.50) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL13573447 | 0.85 | CA12 (0.50) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL464926 | 0.83 | CA12 (0.72) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL6813264 | 0.83 | CA12 (0.72) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL9608532 | 0.83 | CA12 (0.80) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL12188567 | 0.83 | CA12 (0.68) | SCN9ACA12CA1CA2CA3 |
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-2011037833-A2 | NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-03-31 | — | — | WO | disclosed |