Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | SMG1 | Q96Q15 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31113853 | 0.97 | IKBKB (0.43) | IKBKBCHUKCA9CA12CA1 | |
| SCHEMBL31113828 | 0.83 | KCNH2 (0.52) | MAP4K4SYK | |
| SCHEMBL3117257 | 0.77 | IKBKB (0.46) | IKBKBCHUKCA9CA12CA1 | |
| SCHEMBL31113816 | 0.76 | MAP4K4 (0.47) | IKBKBCHUKCA9CA12CA1 | |
| SCHEMBL30755522 | 0.75 | CA2 (0.48) | CA9CA12CA1CA2FFAR2 | |
| SCHEMBL27372053 | 0.75 | CA2 (0.48) | CA9CA12CA1CA2FFAR2 | |
| SCHEMBL31113970 | 0.75 | SMG1 (0.52) | CA1MTORSMG1CDK1CDK2 | |
| Hydrochloric Acid SCHEMBL3111165 | 0.73 | IKBKB (0.49) | IKBKBCHUKCA9CA12CA1 | |
| SCHEMBL31114005 | 0.72 | MAP4K4 (0.48) | MTORSMG1CDK1CDK2MAP4K4 | |
| SCHEMBL3115355 | 0.72 | IKBKB (0.50) | IKBKBCHUKCA9CA12CA1 |
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-2024186839-A1 | BICYCLIC ARYL SULFONAMIDES, SULFONES, AND SULFONATE ESTERS AS ANTI-PARASITIC AGENTS | UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) | 2024-09-12 | — | — | WO | disclosed |