Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GRK6 | P43250 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 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 | |
|---|---|---|---|---|
| SCHEMBL2371809 | 0.85 | TSHR (0.60) | TSHRCYP3A4KAT2BALDH1A1GPR35 | |
| SCHEMBL978709 | 0.83 | TSHR (0.62) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL9081742 | 0.81 | TSHR (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL1812600 | 0.81 | TSHR (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL22535975 | 0.81 | CYP3A4 (0.55) | TSHRCYP3A4KAT2BMAPTALDH1A1 | |
| SCHEMBL9836378 | 0.80 | CYP3A4 (0.53) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL981242 | 0.79 | KAT2B (0.64) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL2974822 | 0.79 | CYP3A4 (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL27177332 | 0.78 | TSHR (0.51) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL1360573 | 0.78 | TDP1 (0.58) | MAPTALDH1A1GPR35KCNMA1 |
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-104099353-B | Regioselective bacterial nitroreductase gene, recombinase thereof and application thereof | 大连理工大学 | 2017-01-11 | — | — | CN | disclosed |