Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10717381 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL7986212 | 0.76 | — | — | |
| SCHEMBL8593138 | 0.71 | — | — | |
| SCHEMBL1079249 | 0.70 | CA2 (0.40) | CA2CA9CA1CA5ACA7 | |
| Hydrochloric Acid SCHEMBL11668105 | 0.69 | CA2 (0.39) | CA2CA9CA1CA5ACA7 | |
| SCHEMBL1654109 | 0.67 | — | — | |
| SCHEMBL3123404 | 0.67 | — | — | |
| SCHEMBL10832328 | 0.67 | — | — | |
| SCHEMBL1664161 | 0.65 | — | — | |
| SCHEMBL24832 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | claimed |