Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4159419 | 1.00 | TSHR (0.47) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL18043888 | 0.86 | BRD4 (0.49) | TSHRCYP1A2RAB9ACYP2C19HSD17B10 | |
| SCHEMBL6306400 | 0.85 | TSHR (0.59) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL27951480 | 0.84 | ERCC5 (0.33) | TSHRCYP1A2RAB9ACYP2C19L3MBTL1 | |
| SCHEMBL18043962 | 0.83 | TARBP2 (0.39) | CYP1A2L3MBTL1ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL30291201 | 0.82 | TSHR (0.41) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL16333645 | 0.82 | TSHR (0.41) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL16855171 | 0.81 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL19951153 | 0.80 | KDM4E (0.44) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL12458001 | 0.78 | TSHR (0.59) | TSHRCA12CA1CA2CA7 |
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-115181062-B | Preparation method of 6-chloro-3-methyl-2-pyridine carboxylic acid methyl ester | 八叶草健康产业研究院(厦门)有限公司 | 2025-02-07 | — | — | CN | disclosed |