Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.61 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4425801 | 0.86 | NR1H4 (0.64) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL30506252 | 0.82 | TLR9 (0.70) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL20116145 | 0.82 | TLR9 (0.70) | NR1H4TLR9TLR8TLR7RAB9A | |
| Hydrochloric Acid SCHEMBL20661015 | 0.81 | TLR9 (0.68) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL20676517 | 0.78 | NR1H4 (0.60) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL4416033 | 0.76 | NPC1 (0.74) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL20116375 | 0.76 | TLR9 (0.66) | NR1H4TLR9TLR8TLR7MEN1 | |
| SCHEMBL24844623 | 0.76 | NR1H4 (0.57) | NR1H4TLR9TLR8TLR7RAB9A | |
| SCHEMBL3123292 | 0.76 | NR1H4 (0.72) | NR1H4RAB9ANPC1MAPK1MAOA | |
| Hydrochloric Acid SCHEMBL20660856 | 0.75 | TLR9 (0.65) | NR1H4TLR9TLR8TLR7MEN1 |
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-2023275744-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) | 2023-01-05 | — | — | WO | disclosed |