Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4616218 | 0.74 | SMN1; SMN2 (0.71) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL27964981 | 0.74 | SMN1; SMN2 (0.56) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL4110912 | 0.74 | — | — | |
| SCHEMBL11145342 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL27964660 | 0.70 | SMN1; SMN2 (0.58) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL2864267 | 0.69 | SMN1; SMN2 (0.48) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL1332029 | 0.69 | — | — | |
| SCHEMBL453120 | 0.69 | SMN1; SMN2 (0.50) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL270012 | 0.69 | — | — | |
| SCHEMBL238964 | 0.69 | — | — |
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-111471045-A | Preparation method of tofacitinib impurity | 上海博悦生物科技有限公司 | 2020-07-31 | — | — | CN | disclosed |