Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897810 | 0.71 | ALDH1A1 (0.31) | ALDH1A1CYP3A4POLBHTTTDP1 | |
| SCHEMBL19263764 | 0.63 | MEN1 (0.39) | ALDH1A1 | |
| SCHEMBL19086367 | 0.62 | — | — | |
| SCHEMBL28586401 | 0.61 | ALDH1A1 (0.31) | ALDH1A1CYP3A4POLBHTTTDP1 | |
| SCHEMBL30820070 | 0.60 | ALDH1A1 (0.32) | ALDH1A1CYP3A4POLBHTTTDP1 | |
| SCHEMBL28957954 | 0.55 | — | — | |
| SCHEMBL10851926 | 0.55 | — | — | |
| SCHEMBL2043583 | 0.54 | — | — | |
| SCHEMBL7952000 | 0.54 | LMNA (0.31) | ALDH1A1CYP3A4CYP1A2TSHR | |
| SCHEMBL2037894 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109328059-B | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-111892579-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111875585-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-109328059-A | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2019-02-12 | — | — | CN | disclosed |