Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | ALB | P02768 | 3/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL13016474 | 0.89 | CA1 (0.55) | CA1CA2CA12CA3CA4 | |
| SCHEMBL1895974 | 0.86 | CA1 (0.70) | CA1CA2CA12CA3CA4 | |
| SCHEMBL993125 | 0.83 | CA1 (0.75) | CA1CA2CA12CA3CA4 | |
| SCHEMBL993084 | 0.83 | CA1 (0.75) | CA1CA2CA12CA3CA4 | |
| SCHEMBL13573446 | 0.80 | EPHX2 (0.49) | CA1CA2CA12CA3CA4 | |
| SCHEMBL13016472 | 0.79 | CA1 (0.45) | CA1CA2CA12CA3CA4 | |
| SCHEMBL16248025 | 0.75 | CA1 (0.56) | CA1CA2CA12CA3CA4 | |
| SCHEMBL469929 | 0.75 | KMT2A (0.63) | ALDH1A1 | |
| SCHEMBL6810005 | 0.74 | CA1 (0.55) | CA1CA2CA12CA3CA4 | |
| SCHEMBL992910 | 0.74 | CA1 (0.55) | CA1CA2CA12CA3CA4 |
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 3 patents. 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 |
| WO-2010148300-A1 | METHODS OF TREATMENT OF NEUROLOGICAL DISORDERS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2010-12-23 | — | — | WO | disclosed |
| WO-2009145816-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) | 2009-12-03 | — | — | WO | disclosed |