Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | GPR6 | P46095 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30873917 | 1.00 | TRPA1 (0.39) | TRPA1MBOAT4GRM4JAK2GPR6 | |
| SCHEMBL30873882 | 0.87 | MBOAT4 (0.41) | TRPA1MBOAT4GRM4JAK2IDH1 | |
| SCHEMBL28926930 | 0.87 | MBOAT4 (0.41) | TRPA1MBOAT4GRM4JAK2IDH1 | |
| SCHEMBL22428683 | 0.76 | GRM4 (0.39) | TRPA1MBOAT4GRM4JAK2GPR6 | |
| SCHEMBL22411285 | 0.73 | MBOAT4 (0.34) | TRPA1MBOAT4GRM4JAK2IDH1 | |
| SCHEMBL17115670 | 0.66 | IDH1 (0.37) | TRPA1GRM4IDH1 | |
| SCHEMBL22428682 | 0.63 | GRM4 (0.38) | TRPA1MBOAT4GRM4JAK2IDH1 | |
| SCHEMBL22411339 | 0.60 | MBOAT4 (0.37) | TRPA1MBOAT4GRM4JAK2IDH1 | |
| SCHEMBL31612111 | 0.59 | KMT2A (0.42) | TRPA1GRM4 | |
| SCHEMBL26618136 | 0.59 | GRM4 (0.39) | TRPA1GRM4IDH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118290350-A | Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders | 协同医药发展有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-113631535-B | Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders | 协同医药发展有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-113631535-A | Heteroaryl and bis-heterocyclic aryl derivatives for the treatment of disorders associated with iron death | 协同医药发展有限公司 | 2021-11-09 | — | — | CN | disclosed |