Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 12/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803840 | 0.94 | MAPT (0.39) | ESRRGTP53MAPTHTR6ESR1 | |
| SCHEMBL24671263 | 0.87 | KDM4E (0.42) | ESRRGTP53MAPTESR1ESR2 | |
| SCHEMBL24669946 | 0.85 | TP53 (0.42) | ESRRGTP53HTR6CCNT1CDK9 | |
| SCHEMBL24670406 | 0.85 | IMPDH2 (0.45) | CCNT1CDK9KDM4EMAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL29803663 | 0.83 | KDM4E (0.40) | ESRRGTP53MAPTHTR6ESR1 | |
| SCHEMBL29803733 | 0.83 | MAPKAPK2 (0.52) | ESRRGTP53MAPTPTPN2PTPN11 | |
| SCHEMBL24670483 | 0.82 | ULK1 (0.41) | MAPTHTR6CCNT1CDK9MAPKAPK2 | |
| SCHEMBL29804024 | 0.82 | CCNT1 (0.51) | HTR6CCNT1CDK9MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL29803398 | 0.81 | IMPDH2 (0.41) | CCNT1CDK9KDM4E | |
| Trifluoroacetic Acid SCHEMBL29803752 | 0.80 | WDR5 (0.41) | ESRRGTP53MAPTHTR6CCNT1 |
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 |