Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACR | P10323 | 3/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL24892357 | 0.92 | SMYD3 (0.42) | ACRKMT2ANPC1RAB9AMEN1 | |
| Trifluoroacetic Acid SCHEMBL30182432 | 0.85 | MAPT (0.42) | ACRAURKARPS6KB1AURKB | |
| Trifluoroacetic Acid SCHEMBL30182473 | 0.77 | KDM4E (0.48) | KMT2ANR1H4NPC1RAB9ASLC2A1 | |
| Trifluoroacetic Acid SCHEMBL30182694 | 0.76 | — | — | |
| SCHEMBL30180974 | 0.76 | MAPT (0.47) | ACRKMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL29803202 | 0.76 | NR1H4 (0.53) | KMT2ANR1H4NPC1RAB9AMEN1 | |
| Trifluoroacetic Acid SCHEMBL30182754 | 0.76 | MAPKAPK2 (0.51) | SLC2A1 | |
| Trifluoroacetic Acid SCHEMBL30182563 | 0.74 | HDAC3 (0.46) | KMT2ANR1H4NPC1RAB9AMEN1 | |
| SCHEMBL24891909 | 0.71 | S1PR1 (0.55) | NPC1RAB9A | |
| SCHEMBL24892102 | 0.70 | MAPT (0.42) | ACRKMT2AMEN1SLC2A1 |
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 |