Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650967 | 0.81 | CA12 (0.50) | CA12CA9MEN1KMT2ARAB9A | |
| SCHEMBL1889560 | 0.81 | CA12 (0.46) | CA12CA9RAB9ANPC1CHRM2 | |
| SCHEMBL6389352 | 0.80 | CA12 (0.49) | CA12CA9MEN1KMT2ARAB9A | |
| SCHEMBL13484325 | 0.79 | ALDH1A1 (0.52) | CA12CA9MEN1KMT2ACHRM2 | |
| SCHEMBL3170290 | 0.79 | ALDH1A1 (0.52) | CA12CA9MEN1KMT2ACHRM2 | |
| SCHEMBL5962347 | 0.79 | CHRM2 (0.54) | CA12CA9MEN1KMT2ACHRM2 | |
| SCHEMBL9625482 | 0.79 | CHRM2 (0.63) | MEN1KMT2ACHRM2ALDH1A1 | |
| SCHEMBL291933 | 0.79 | CA12 (0.55) | CA12CA9MEN1KMT2ARAB9A | |
| SCHEMBL31385569 | 0.79 | CA12 (0.55) | CA12CA9MEN1KMT2ARAB9A | |
| SCHEMBL9349967 | 0.78 | TDP1 (0.55) | MEN1KMT2ACHRM2ALDH1A1SMN1; SMN2 |
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-113668004-A | Method for electrochemically synthesizing non-natural amino acid derivatives | 浙江工业大学 | 2021-11-19 | — | — | CN | disclosed |