Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 5/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29803461 | 0.99 | TP53 (0.46) | TP53MAPKAPK2NPC1RAB9APPARG | |
| SCHEMBL24671415 | 0.89 | MAPKAPK2 (0.42) | TP53MAPKAPK2NPC1RAB9APPARG | |
| SCHEMBL29803733 | 0.87 | MAPKAPK2 (0.52) | TP53MAPKAPK2NPC1RAB9APPARG | |
| SCHEMBL24669990 | 0.84 | MAPT (0.45) | TP53MAPKAPK2NPC1RAB9APPARG | |
| SCHEMBL24670591 | 0.84 | MAPKAPK2 (0.38) | TP53MAPKAPK2NPC1RAB9APPARG | |
| Trifluoroacetic Acid SCHEMBL29803632 | 0.84 | TP53 (0.39) | TP53MAPKAPK2NPC1RAB9APPARG | |
| SCHEMBL24669893 | 0.82 | SLC6A3 (0.43) | MAPKAPK2PTPN11KCNH2PLAUPLG | |
| Trifluoroacetic Acid SCHEMBL29803386 | 0.81 | MAPKAPK2 (0.46) | TP53MAPKAPK2NPC1RAB9APPARG | |
| Hydrochloric Acid SCHEMBL29803477 | 0.80 | MAPKAPK2 (0.48) | MAPKAPK2PLAUPLGPLATKLKB1 | |
| SCHEMBL24892281 | 0.79 | MAPKAPK2 (0.56) | MAPKAPK2NPC1RAB9AKDM4ESMN1; SMN2 |
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 2 patents. 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 |
| 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 |