Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA3 | P07451 | 1/20 | 0.62 |
| ▸ | CA4 | P22748 | 1/20 | 0.62 |
| ▸ | CA6 | P23280 | 1/20 | 0.62 |
| ▸ | CA5A | P35218 | 1/20 | 0.62 |
| ▸ | CA7 | P43166 | 1/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.62 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 1/20 | 0.51 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1082959 | 0.89 | CA12 (0.79) | CA12CA1CA2CA3CA4 | |
| SCHEMBL47275 | 0.87 | CA12 (0.74) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1697369 | 0.87 | CA12 (0.74) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8205298 | 0.87 | CA12 (0.74) | CA12CA1CA2CA3CA4 | |
| SCHEMBL992881 | 0.85 | PSMB1 (0.58) | — | |
| SCHEMBL8519393 | 0.82 | BCHE (0.63) | ADAMTS5 | |
| SCHEMBL993730 | 0.79 | CA12 (0.62) | CA12CA1CA2CA3CA4 | |
| SCHEMBL993731 | 0.79 | CA12 (0.62) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1576809 | 0.79 | CA12 (0.78) | CA12CA1CA2CA3CA4 | |
| SCHEMBL28303067 | 0.79 | PPARG (0.76) | MMP8PPARG |
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 |