Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.68 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30730630 | 1.00 | NR1H4 (0.68) | NR1H4MAOAMAOBTLR9TLR8 | |
| SCHEMBL4422352 | 0.85 | NR1H4 (0.65) | NR1H4MAOAMAOBGRM5NPC1 | |
| SCHEMBL16535613 | 0.84 | CA12 (0.51) | NR1H4MAOAMAOBGRM5NPC1 | |
| SCHEMBL16543145 | 0.84 | CA12 (0.51) | NR1H4MAOAMAOBGRM5NPC1 | |
| SCHEMBL15335684 | 0.84 | CA12 (0.51) | NR1H4MAOAMAOBGRM5NPC1 | |
| Hydrochloric Acid SCHEMBL23858303 | 0.83 | NR1H4 (0.64) | NR1H4MAOAMAOBGRM5NPC1 | |
| SCHEMBL8244818 | 0.83 | NR1H4 (0.67) | NR1H4GRM5CASP3SENP7SENP6 | |
| Hydrochloric Acid SCHEMBL5331967 | 0.82 | NR1H4 (0.65) | NR1H4GRM5CASP3SENP7SENP6 | |
| SCHEMBL16825952 | 0.79 | NR1H4 (0.65) | NR1H4MAOAMAOBTLR9TLR8 | |
| SCHEMBL20116145 | 0.79 | TLR9 (0.70) | NR1H4MAOBTLR9TLR8TLR7 |
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-2024030121-A1 | SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-02-08 | — | — | WO | disclosed |