Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.55 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1415727 | 0.92 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3MITFCA1 | |
| SCHEMBL6936570 | 0.92 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3MITFCA1 | |
| SCHEMBL27505917 | 0.92 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3MITFCA1 | |
| Pyridine SCHEMBL28167226 | 0.81 | TP53 (0.44) | SLC6A2SLC6A4SLC6A3TP53MDM2 | |
| SCHEMBL27469280 | 0.79 | KMT2A (0.50) | SLC6A2SLC6A4SLC6A3MITFTDP1 | |
| SCHEMBL7826769 | 0.79 | KMT2A (0.50) | SLC6A2SLC6A4SLC6A3MITFTDP1 | |
| SCHEMBL3015928 | 0.79 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3MITFCA1 | |
| SCHEMBL4649567 | 0.79 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3MITFCA1 | |
| SCHEMBL23058169 | 0.79 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3MITF | |
| SCHEMBL28861068 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3MITFTDP1 |
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-104955824-B | It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M | 豪夫迈·罗氏有限公司 | 2017-09-22 | — | — | CN | disclosed |