Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 12/20 | 0.53 |
| ▸ | CA12 | O43570 | 8/20 | 0.53 |
| ▸ | CA9 | Q16790 | 8/20 | 0.53 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7133771 | 0.87 | TAAR1 (0.66) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL7133765 | 0.87 | TAAR1 (0.66) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL28155671 | 0.78 | TAAR1 (0.82) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL30844069 | 0.75 | TAAR1 (0.58) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL28044832 | 0.75 | TAAR1 (0.66) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL6413419 | 0.73 | SMN1; SMN2 (0.49) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL6413423 | 0.73 | SMN1; SMN2 (0.49) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL30844067 | 0.73 | CA2 (0.47) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL9558722 | 0.72 | CA1 (0.64) | TAAR1CA2CA12CA9CA1 | |
| SCHEMBL3365281 | 0.68 | CA12 (0.49) | CA2CA12CA9CA1KDM4E |
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 |