Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | ESRRG | P62508 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | QDPR | P09417 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL29803912 | 1.00 | TP53 (0.49) | TP53ESRRGESR1SMN1; SMN2QDPR | |
| Trifluoroacetic Acid SCHEMBL29803606 | 0.94 | TP53 (0.47) | TP53ESRRGESR1SMN1; SMN2QDPR | |
| SCHEMBL24669946 | 0.85 | TP53 (0.42) | TP53ESRRGESR1SMN1; SMN2ESR2 | |
| SCHEMBL29803733 | 0.83 | MAPKAPK2 (0.52) | TP53ESRRGESR1SMN1; SMN2QDPR | |
| SCHEMBL24670608 | 0.82 | CCNT1 (0.50) | QDPRHTR2CCSF1RNAMPTCCNT1 | |
| SCHEMBL29803677 | 0.82 | CCNT1 (0.50) | QDPRHTR2CCSF1RNAMPTCCNT1 | |
| Trifluoroacetic Acid SCHEMBL29803752 | 0.80 | WDR5 (0.41) | TP53ESRRGESR1SMN1; SMN2ESR2 | |
| SCHEMBL5226443 | 0.79 | TP53 (0.44) | TP53ESRRGESR1SMN1; SMN2ESR2 | |
| SCHEMBL24671298 | 0.79 | ESRRG (0.43) | TP53ESRRGESR1ESR2CCNT1 | |
| Trifluoroacetic Acid SCHEMBL29803386 | 0.79 | MAPKAPK2 (0.46) | TP53ESRRGESR1SMN1; SMN2QDPR |
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 |