Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.73 |
| ▸ | CA1 | P00915 | 8/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 6/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| P-Toluenesulfonamide SCHEMBL8964918 | 0.91 | TDP1 (0.60) | CA2CA1TSHRALDH1A1CA12 | |
| P-Toluenesulfonamide SCHEMBL1829285 | 0.86 | TDP1 (0.55) | CA2CA1TSHRALDH1A1CA12 | |
| SCHEMBL4964212 | 0.85 | CA2 (1.00) | CA2CA1TSHRALDH1A1KEAP1 | |
| SCHEMBL5068799 | 0.80 | CA1 (0.65) | CA2CA1TSHRALDH1A1KEAP1 | |
| Phenylbutanoic Acid SCHEMBL8707510 | 0.80 | HDAC3 (0.70) | CA2CA1TSHRKEAP1CA12 | |
| Dl-Phenylalanine SCHEMBL18191199 | 0.79 | SLC7A5 (0.63) | CA2CA1CA12CA7CA9 | |
| Phenylalanine SCHEMBL18191186 | 0.79 | SLC7A5 (0.63) | CA2CA1CA12CA7CA9 | |
| P-Toluenesulfonamide SCHEMBL4747609 | 0.79 | ALDH1A1 (0.50) | CA2CA1TSHRALDH1A1CA12 | |
| P-Toluenesulfonamide SCHEMBL28234027 | 0.79 | CA1 (0.66) | CA2CA1CA12CA7CA9 | |
| SCHEMBL6729573 | 0.78 | FFAR1 (0.64) | CA2CA1ALDH1A1KEAP1FFAR1 |
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-106008665-A | Compounds having tumor proliferation inhibition function, and preparation method and application thereof | 北京大学 | 2016-10-12 | — | — | CN | disclosed |