Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24669294 | 0.87 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17309069 | 0.84 | CA12 (0.66) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL24834412 | 0.84 | CA12 (0.51) | CA12CA1CA2CA9ITGB3 | |
| SCHEMBL29802513 | 0.84 | CA12 (0.51) | CA12CA1CA2CA9ITGB3 | |
| SCHEMBL24670449 | 0.84 | CA2 (0.48) | CA1CA2CNR2NPC1RAB9A | |
| SCHEMBL20207092 | 0.83 | CA12 (0.47) | CA12CA1CA2CA9ITGB3 | |
| SCHEMBL20207023 | 0.81 | ALDH1A1 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21386653 | 0.81 | CA12 (0.44) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL20122336 | 0.81 | CA12 (0.44) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL20204942 | 0.81 | CA1 (0.45) | CA12CA1CA2CA9NPC1 |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |