Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | KLK1 | P06870 | 2/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24892106 | 0.91 | ALDH1A1 (0.46) | HDAC1HDAC4HDAC6HDAC3NPC1 | |
| Trifluoroacetic Acid SCHEMBL29803776 | 0.84 | MLYCD (0.49) | HDAC1KLK1KLK5NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL30182563 | 0.84 | HDAC3 (0.46) | HDAC1HDAC4HDAC6HDAC3KLK1 | |
| SCHEMBL24892109 | 0.83 | NPC1 (0.60) | NPC1RAB9AALDH1A1SMN1; SMN2CNR1 | |
| Trifluoroacetic Acid SCHEMBL28814649 | 0.79 | ST14 (0.47) | HDAC1HDAC4HDAC6HDAC3ST14 | |
| Trifluoroacetic Acid SCHEMBL30182466 | 0.79 | KDM4E (0.44) | KLK1KLK5ALDH1A1CNR1 | |
| Trifluoroacetic Acid SCHEMBL30182432 | 0.79 | MAPT (0.42) | KLK1KLK5ALDH1A1CNR1TP53 | |
| SCHEMBL24892365 | 0.78 | ST14 (0.55) | HDAC1NPC1RAB9ASMN1; SMN2CNR1 | |
| Trifluoroacetic Acid SCHEMBL28211814 | 0.77 | ST14 (0.44) | HDAC1HDAC4HDAC6HDAC3ST14 | |
| SCHEMBL24670339 | 0.74 | TRPV1 (0.50) | HDAC1NPC1RAB9ASMN1; SMN2MEN1 |
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 |