Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MTOR | P42345 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | SNCA | P37840 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.57 |
| ▸ | CDC25A | P30304 | 9/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033842 | 1.00 | TRPA1 (0.66) | TRPA1NPC1MTORRAB9AAPP | |
| SCHEMBL1061471 | 0.89 | TRPA1 (0.72) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL1061470 | 0.89 | TRPA1 (0.72) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL12930303 | 0.86 | TRPA1 (0.68) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL24856462 | 0.85 | MAPT (0.64) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL1751539 | 0.85 | APP (0.60) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL1751537 | 0.85 | APP (0.60) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL23256219 | 0.84 | APP (0.54) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL1060003 | 0.84 | APP (0.60) | TRPA1APPMAPTSNCAALDH1A1 | |
| SCHEMBL1060002 | 0.84 | APP (0.60) | TRPA1APPMAPTSNCAALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444419-A | Indigo infrared diene structure compound and preparation method thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | claimed |
| CN-116444419-A | Indigo infrared diene structure compound and preparation method thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | disclosed |