Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | QDPR | P09417 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
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 SCHEMBL29803296 | 0.93 | MAPKAPK2 (0.44) | MAPKAPK2NAMPTQDPRHTR2CKDM4E | |
| SCHEMBL24669925 | 0.87 | MAPKAPK2 (0.48) | MAPKAPK2NAMPTQDPRHTR2CKDM4E | |
| SCHEMBL24670491 | 0.87 | MAPKAPK2 (0.48) | MAPKAPK2NAMPTQDPRTGFBR1ACVR1 | |
| Trifluoroacetic Acid SCHEMBL29803728 | 0.82 | MAPKAPK2 (0.44) | MAPKAPK2NAMPTQDPRHTR2CSIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL29803413 | 0.81 | PTPN1 (0.47) | MAPKAPK2NAMPTQDPRTGFBR1ACVR1 | |
| SCHEMBL24670407 | 0.78 | MAPKAPK2 (0.48) | MAPKAPK2NAMPTQDPRHTR2CNPC1 | |
| SCHEMBL24669231 | 0.77 | MAPKAPK2 (0.52) | MAPKAPK2NAMPTQDPRHTR2CMAPT | |
| SCHEMBL24670573 | 0.77 | MAPKAPK2 (0.59) | MAPKAPK2NAMPTQDPRHTR2CSIGMAR1 | |
| SCHEMBL29803714 | 0.77 | NAMPT (0.51) | MAPKAPK2NAMPTQDPRHTR2CNPC1 | |
| SCHEMBL24670474 | 0.74 | NPC1 (0.41) | NAMPTKDM4ENPC1LMNAMAPT |
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 |