Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 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 | |
|---|---|---|---|---|
| SCHEMBL18650471 | 0.80 | CYP3A4 (0.36) | TSHRCYP1A2 | |
| SCHEMBL1753867 | 0.79 | TSHR (0.43) | TSHRCYP1A2HIF1AMAPK1NEK2 | |
| SCHEMBL30544131 | 0.78 | — | — | |
| SCHEMBL18650473 | 0.77 | USP2 (0.33) | — | |
| SCHEMBL11623926 | 0.76 | — | — | |
| SCHEMBL8369489 | 0.76 | — | — | |
| SCHEMBL18650290 | 0.75 | — | — | |
| Water SCHEMBL28435541 | 0.74 | CYP1A2 (0.36) | CYP1A2MAPK1 | |
| SCHEMBL21421655 | 0.72 | TSHR (0.37) | TSHRCYP1A2HIF1AMAPK1NEK2 | |
| SCHEMBL18650250 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |