Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.31 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18449784 | 0.93 | CA12 (0.31) | CA12CA9CA1CA2 | |
| SCHEMBL15748009 | 0.92 | — | — | |
| SCHEMBL8512235 | 0.81 | CA12 (0.42) | CA12CA9CA1CA2 | |
| SCHEMBL18555563 | 0.81 | CA12 (0.42) | CA12CA9CA1CA2 | |
| SCHEMBL8512237 | 0.81 | CA12 (0.42) | CA12CA9CA1CA2 | |
| SCHEMBL18487524 | 0.81 | NFKB1 (0.33) | — | |
| SCHEMBL18449785 | 0.79 | — | — | |
| SCHEMBL17192517 | 0.77 | CA12 (0.32) | CA12CA9CA1CA2 | |
| SCHEMBL17190433 | 0.74 | NFKB1 (0.31) | — | |
| SCHEMBL24268407 | 0.74 | CA12 (0.39) | CA12CA9CA1CA2 |
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-2017024229-A1 | STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS | ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) | 2017-02-09 | — | — | WO | disclosed |