Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2864267 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL8926402 | 0.76 | — | — | |
| SCHEMBL28562629 | 0.75 | ALDH1A1 (0.42) | CA14CA12KMT2AALDH1A1CA1 | |
| SCHEMBL13538910 | 0.74 | — | — | |
| SCHEMBL1332029 | 0.71 | — | — | |
| SCHEMBL270012 | 0.71 | — | — | |
| SCHEMBL453120 | 0.71 | SMN1; SMN2 (0.50) | SMN1; SMN2CA14CA12KMT2AALDH1A1 | |
| SCHEMBL10496028 | 0.70 | SMN1; SMN2 (0.37) | SMN1; SMN2CA14CA12KMT2ACA1 | |
| SCHEMBL37355 | 0.69 | — | — | |
| SCHEMBL15902979 | 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-112574037-A | Synthetic method of alpha, gamma-tetrachlorobutyrate | 湖南师范大学 | 2021-03-30 | — | — | CN | disclosed |