Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.82 |
| ▸ | CA2 | P00918 | 9/20 | 0.64 |
| ▸ | CA1 | P00915 | 8/20 | 0.64 |
| ▸ | CA9 | Q16790 | 7/20 | 0.64 |
| ▸ | CA12 | O43570 | 6/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7396578 | 0.90 | TAAR1 (0.87) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL9558722 | 0.84 | CA1 (0.64) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL28044832 | 0.84 | TAAR1 (0.66) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL28155672 | 0.78 | TAAR1 (0.54) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL5069119 | 0.78 | TAAR1 (0.66) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL5069118 | 0.78 | TAAR1 (0.66) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL2464453 | 0.77 | TAAR1 (0.76) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL8418689 | 0.77 | TAAR1 (0.76) | TAAR1CA2CA1CA9CA12 | |
| SCHEMBL21543817 | 0.76 | TAAR1 (0.64) | TAAR1CA2CA1CA9ALDH1A1 | |
| SCHEMBL21543818 | 0.76 | TAAR1 (0.64) | TAAR1CA2CA1CA9ALDH1A1 |
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-105294458-B | A kind of anti-tumor small molecular compound and its preparation method and application | 中国人民解放军第四军医大学 | 2017-07-11 | — | — | CN | disclosed |