Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 SCHEMBL30182473 | 0.92 | KDM4E (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL24891990 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2PLAU | |
| SCHEMBL24891909 | 0.83 | S1PR1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL24892123 | 0.83 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL30180742 | 0.83 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL23963298 | 0.82 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2MAPK1KDM4E | |
| SCHEMBL23291297 | 0.81 | GAA (0.69) | ALDH1A1LMNAKMT2AGAAMAPK1 | |
| SCHEMBL24891741 | 0.79 | MEN1 (0.63) | NPC1RAB9ASMN1; SMN2PLAULMNA | |
| SCHEMBL24892211 | 0.79 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2LMNAKMT2A | |
| SCHEMBL30182396 | 0.79 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2LMNAKMT2A |
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 |