Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL24891825 | 0.90 | RAB9A (0.64) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL2453867 | 0.89 | MAPT (0.53) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL29803438 | 0.87 | SLC2A1 (0.54) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| SCHEMBL17801122 | 0.86 | NPC1 (0.75) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| SCHEMBL532678 | 0.86 | MAPT (0.74) | RAB9ANPC1TP53SMN1; SMN2HTT | |
| SCHEMBL1663115 | 0.86 | ALDH1A1 (0.66) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| SCHEMBL5084566 | 0.86 | USP2 (0.66) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| SCHEMBL8769785 | 0.86 | RAB9A (0.59) | RAB9ANPC1TP53SMN1; SMN2MAPK1 | |
| Trifluoroacetic Acid SCHEMBL30182372 | 0.84 | CCNC (0.52) | RAB9ANPC1SMN1; SMN2HTTMAPKAPK2 | |
| SCHEMBL1999202 | 0.84 | MAPKAPK2 (0.65) | RAB9ANPC1TP53SMN1; SMN2MAPK1 |
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 |