Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 2/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24891884 | 0.90 | TP53 (0.49) | HDAC3HDAC4HDAC1HDAC6TP53 | |
| Trifluoroacetic Acid SCHEMBL30182593 | 0.84 | HDAC1 (0.53) | HDAC3HDAC4HDAC1HDAC6TP53 | |
| Trifluoroacetic Acid SCHEMBL29803202 | 0.80 | NR1H4 (0.53) | NPC1RAB9ANR1H4S1PR4S1PR1 | |
| Trifluoroacetic Acid SCHEMBL1497372 | 0.77 | TGM2 (0.54) | ITGB3ITGB1ITGAVITGA5 | |
| Trifluoroacetic Acid SCHEMBL30182598 | 0.74 | ACR (0.41) | NPC1RAB9ANR1H4MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL30182473 | 0.74 | KDM4E (0.48) | NPC1RAB9ANR1H4ITGB3ITGB1 | |
| Trifluoroacetic Acid SCHEMBL30182723 | 0.74 | TAAR1 (0.52) | TP53ITGB3ITGB1ITGAVITGA5 | |
| Tyramine SCHEMBL6433562 | 0.73 | TAAR1 (0.67) | TP53KMT2AALDH1A1 | |
| SCHEMBL24891741 | 0.73 | MEN1 (0.63) | TP53NPC1RAB9ANR1H4MEN1 | |
| Trifluoroacetic Acid SCHEMBL7859231 | 0.73 | TAAR1 (0.67) | TP53S1PR1KMT2AALDH1A1 |
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 |