Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 3/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29123271 | 1.00 | LTB4R (0.40) | LTB4RLTB4R2RORCRORBPTGDR2 | |
| SCHEMBL29123532 | 0.87 | LTB4R (0.40) | LTB4RLTB4R2PTGDR2MAPK1SMN1; SMN2 | |
| SCHEMBL30779700 | 0.87 | LTB4R (0.40) | LTB4RLTB4R2PTGDR2MAPK1SMN1; SMN2 | |
| SCHEMBL29122950 | 0.85 | DAO (0.39) | TSHRMAPK1 | |
| SCHEMBL29123094 | 0.84 | MAOB (0.38) | TSHRMAPK1 | |
| SCHEMBL30779673 | 0.83 | KDM4C (0.36) | — | |
| SCHEMBL29123107 | 0.83 | KDM4C (0.36) | — | |
| SCHEMBL29122766 | 0.80 | HTR3E (0.45) | — | |
| SCHEMBL29122608 | 0.79 | ADORA2A (0.45) | TSHR | |
| SCHEMBL29123342 | 0.74 | MAOB (0.44) | TSHRMAPK1NPC1HPGDRAB9A |
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-117186045-A | Isobenzofuran-1 (3H) -ketone TREK-1 inhibitor, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-12-08 | — | — | CN | disclosed |