Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21239456 | 1.00 | TRPA1 (0.35) | TRPA1CYP3A4EPAS1GRM5MAPK1 | |
| SCHEMBL159581 | 0.81 | MAPK1 (0.41) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL19146345 | 0.81 | MIF (0.34) | GRM5 | |
| SCHEMBL8375351 | 0.80 | EPAS1 (0.35) | EPAS1GRM5 | |
| SCHEMBL1421650 | 0.73 | GRM5 (0.47) | GRM5 | |
| SCHEMBL56741 | 0.73 | GRM5 (0.43) | GRM5 | |
| SCHEMBL7921988 | 0.72 | MAPK1 (0.44) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL4240933 | 0.72 | CYP3A4 (0.41) | TRPA1CYP3A4MAPK1TDP1 | |
| Isothiocyanate SCHEMBL3612486 | 0.72 | MAPK1 (0.35) | TRPA1CYP3A4MAPK1TDP1 | |
| SCHEMBL28560711 | 0.72 | VCAM1 (0.32) | — |
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-2024067566-A1 | SATURATED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PHARMACEUTICAL USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2024-04-04 | — | — | WO | disclosed |