Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8955219 | 0.88 | CA12 (0.35) | TSHRCYP3A4PPARGPPARDPPARA | |
| SCHEMBL15350067 | 0.80 | TSHR (0.34) | TSHRCYP3A4BLMNPSR1 | |
| SCHEMBL21162070 | 0.80 | TSHR (0.34) | TSHRCYP3A4BLMNPSR1 | |
| SCHEMBL2431139 | 0.78 | ACHE (0.44) | CYP3A4 | |
| SCHEMBL250661 | 0.78 | IDO1 (0.43) | — | |
| SCHEMBL6927412 | 0.76 | TDP1 (0.46) | TSHRCYP3A4 | |
| SCHEMBL4258830 | 0.76 | IDO1 (0.33) | — | |
| SCHEMBL654510 | 0.76 | ADRB2 (0.48) | TSHR | |
| SCHEMBL4518522 | 0.76 | AKR1C2 (0.38) | — | |
| SCHEMBL12120577 | 0.76 | — | — |
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-106496173-A | Method for preparing the compound that can be used as ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |