Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.54 |
| ▸ | TYR | P14679 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | FOS | P01100 | 1/20 | 0.49 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27617009 | 1.00 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2472987 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL504081 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19397275 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1514193 | 0.85 | GSK3B (0.65) | MAPTSMN1; SMN2THRBGAANPC1 | |
| SCHEMBL29170010 | 0.85 | GSK3B (0.65) | MAPTSMN1; SMN2THRBGAANPC1 | |
| SCHEMBL29010371 | 0.84 | LMNA (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10743297 | 0.84 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11640257 | 0.82 | MAPT (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27497954 | 0.81 | MAPT (0.62) | MAPTSMN1; SMN2ALDH1A1HTTFOS |
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-104311415-B | A kind of carboxylic acid and the method for dimethyl malenate esterification | 苏州波菲特新材料科技有限公司 | 2016-08-17 | — | — | CN | disclosed |