Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | SNCA | P37840 | 6/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.48 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.48 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.48 |
| ▸ | CDC25A | P30304 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29033806 | 0.88 | TRPA1 (0.53) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL29033799 | 0.88 | TRPA1 (0.64) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL1061471 | 0.82 | TRPA1 (0.72) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL1061470 | 0.82 | TRPA1 (0.72) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL29033795 | 0.81 | TRPA1 (0.56) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL29033817 | 0.81 | TGM2 (0.56) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL1060002 | 0.80 | APP (0.60) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL1060003 | 0.80 | APP (0.60) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL12930303 | 0.80 | TRPA1 (0.68) | CHRM1APPMAPTSNCATRPA1 | |
| SCHEMBL29033840 | 0.80 | TRPA1 (0.66) | CHRM1APPMAPTSNCATRPA1 |
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 |