Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803632 | 0.94 | TP53 (0.39) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| SCHEMBL24670348 | 0.89 | TP53 (0.46) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL29803461 | 0.89 | TP53 (0.46) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| SCHEMBL29803733 | 0.84 | MAPKAPK2 (0.52) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| SCHEMBL24669990 | 0.83 | MAPT (0.45) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| SCHEMBL24670591 | 0.83 | MAPKAPK2 (0.38) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29803624 | 0.78 | ESRRG (0.35) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29803645 | 0.78 | MAPT (0.43) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL29803386 | 0.77 | MAPKAPK2 (0.46) | MAPKAPK2TP53NAMPTNPC1RAB9A | |
| SCHEMBL24671298 | 0.77 | ESRRG (0.43) | MAPKAPK2TP53ESRRGKDM4ERXFP1 |
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 |