Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL798350 | 0.71 | CA1 (0.38) | CA1CA2CA9HTT | |
| SCHEMBL672155 | 0.71 | CA1 (0.36) | CA1CA2CA9HTT | |
| SCHEMBL798352 | 0.65 | CA1 (0.35) | CA1CA2CA9HTT | |
| SCHEMBL16317392 | 0.63 | CA1 (0.31) | CA1CA2CA9HTT | |
| SCHEMBL17720551 | 0.62 | CA1 (0.30) | CA1CA2CA9 | |
| SCHEMBL2700574 | 0.61 | — | — | |
| SCHEMBL13280244 | 0.61 | HTT (0.37) | CA1CA2CA9HTT | |
| SCHEMBL18628671 | 0.61 | CA1 (0.33) | CA1CA2CA9HTT | |
| SCHEMBL3321860 | 0.61 | KMT2A (0.33) | — | |
| SCHEMBL13144439 | 0.61 | — | — |
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-5426206-A | Stereospecific synthesis of aldols | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-06-20 | — | — | US | disclosed |