Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.48 |
| ▸ | KIT | P10721 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DHPS | P49366 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30102577 | 1.00 | HDAC8 (0.52) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL17144470 | 0.87 | HDAC8 (0.58) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL28960774 | 0.86 | HDAC8 (0.60) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL30102576 | 0.84 | HDAC8 (0.57) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL28960772 | 0.84 | HDAC8 (0.57) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL17144925 | 0.83 | BRD4 (0.54) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL18492964 | 0.83 | HDAC8 (0.58) | HDAC8BRD4PDGFRBKITKDR | |
| SCHEMBL502772 | 0.80 | FYN (0.47) | BRD4KITPLK1GABRG2GABRB3 | |
| SCHEMBL17460455 | 0.80 | RAB9A (0.58) | ALDH1A1TSHRHPGDHSD17B10MEN1 | |
| SCHEMBL29473316 | 0.80 | RAB9A (0.58) | ALDH1A1TSHRHPGDHSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115572254-A | 2, 6-diaryl pyridine HDAC/Tubulin bifunctional inhibitor, preparation method and application | 复旦大学 | 2023-01-06 | — | — | CN | disclosed |