Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SI | P14410 | 2/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1891853 | 1.00 | TSHR (0.40) | TSHRCA1CA2CA12CA9 | |
| SCHEMBL13033614 | 1.00 | TSHR (0.40) | TSHRCA1CA2CA12CA9 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27988479 | 0.86 | KDM4E (0.45) | CA1CA2CA12CA9GAA | |
| SCHEMBL20022609 | 0.84 | TSHR (0.42) | TSHRCA1CA2CA12CA9 | |
| SCHEMBL13117955 | 0.82 | CA12 (0.37) | TSHRCA1CA2CA12MGAM | |
| SCHEMBL19861713 | 0.82 | TSHR (0.37) | TSHRGAASMN1; SMN2BIRC2 | |
| SCHEMBL8580782 | 0.82 | TSHR (0.40) | TSHRCA1CA2CA12CA9 | |
| SCHEMBL10000227 | 0.82 | ALDH1A1 (0.39) | CA1CA2MGAMGAASI | |
| SCHEMBL14268340 | 0.82 | KMT2A (0.36) | CA2HSD17B10SMN1; SMN2BIRC2KMT2A | |
| SCHEMBL8580776 | 0.82 | TSHR (0.40) | TSHRCA1CA2CA12CA9 |
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-109628519-B | Method for preparing N-methyl-D-aspartic acid by enzymatic resolution | 江南大学 | 2021-08-24 | — | — | CN | disclosed |