Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL344842 | 0.93 | TSHR (0.67) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL20822 | 0.91 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL11044788 | 0.90 | TSHR (0.61) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL11304727 | 0.90 | TSHR (0.56) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL8827508 | 0.88 | TSHR (0.65) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Chloromethane SCHEMBL2876432 | 0.88 | TSHR (0.59) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Bromide SCHEMBL1254985 | 0.87 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Iodide SCHEMBL1254369 | 0.87 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Fluoride SCHEMBL1254177 | 0.87 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL1254945 | 0.87 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4TP53 |
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-106573076-A | Library of ph responsive polymers and nanoprobes thereof | 德克萨斯大学系统董事会 | 2017-04-19 | — | — | CN | disclosed |