Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13086209 | 0.90 | CA12 (0.50) | CA12CA1CA2CA3CA4 | |
| SCHEMBL12188566 | 0.86 | CA12 (0.65) | CA12CA1CA2CA3CA4 | |
| SCHEMBL994350 | 0.82 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL12168507 | 0.82 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL13085992 | 0.81 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL12840798 | 0.80 | SCN9A (0.56) | CA12CA1CA2CA3CA4 | |
| SCHEMBL12188567 | 0.78 | CA12 (0.68) | CA12CA1CA2CA3CA4 | |
| SCHEMBL993251 | 0.76 | SCN9A (0.65) | CA12CA1CA2CA3CA4 | |
| SCHEMBL12188568 | 0.76 | CA12 (0.58) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1082362 | 0.76 | SCN9A (0.61) | CA12CA1CA2CA3CA4 |
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 |