Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 7/20 | 0.55 |
| ▸ | CCNC | P24863 | 2/20 | 0.55 |
| ▸ | CDK8 | P49336 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 7/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 SCHEMBL30182372 | 0.92 | CCNC (0.52) | MAPKAPK2CCNCCDK8NPC1RAB9A | |
| SCHEMBL15244861 | 0.85 | MAPKAPK2 (0.60) | MAPKAPK2NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL30182512 | 0.82 | MAPT (0.61) | MAPKAPK2NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL24891642 | 0.82 | MAPT (0.61) | MAPKAPK2NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL24891893 | 0.82 | NPC1 (0.51) | NPC1RAB9AMAPTSMN1; SMN2PKM | |
| SCHEMBL24891707 | 0.82 | NPC1 (0.64) | MAPKAPK2NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL30180906 | 0.81 | MAPT (0.50) | NPC1RAB9AMAPTSMN1; SMN2PKM | |
| SCHEMBL24891896 | 0.81 | MAPT (0.50) | NPC1RAB9AMAPTSMN1; SMN2PKM | |
| SCHEMBL24891825 | 0.81 | RAB9A (0.64) | NPC1RAB9AMAPTSMN1; SMN2PKM | |
| SCHEMBL16605353 | 0.81 | MCHR1 (0.54) | NPC1RAB9AMAPTSMN1; SMN2PKM |
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-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |