Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | MMP2 | P08253 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28427228 | 1.00 | ALDH1A1 (0.60) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL14619788 | 0.93 | ALDH1A1 (0.69) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL28423968 | 0.93 | ALDH1A1 (0.69) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL29259803 | 0.91 | CNR1 (0.60) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL29222887 | 0.91 | ALDH1A1 (0.58) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL3759433 | 0.89 | ALDH1A1 (0.73) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL28426090 | 0.89 | ALDH1A1 (0.73) | ALDH1A1POLBCNR1CA12CA9 | |
| Hydrochloric Acid SCHEMBL8123779 | 0.87 | ALDH1A1 (0.71) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL29222859 | 0.86 | ALDH1A1 (0.60) | ALDH1A1POLBCNR1CA12CA9 | |
| SCHEMBL28420194 | 0.83 | CNR1 (0.54) | ALDH1A1CNR1CA12CA9CA2 |
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-108976178-A | A kind of preparation method of chiral sulfonamide class organic compound | 云南民族大学 | 2018-12-11 | — | — | CN | disclosed |