Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30358459 | 0.89 | TP53 (0.39) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL3786473 | 0.77 | TSHR (0.50) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL15058751 | 0.76 | TSHR (0.41) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL11477878 | 0.76 | THRB (0.49) | TSHRTP53ALDH1A1 | |
| SCHEMBL8895334 | 0.76 | THRB (0.49) | TSHRTP53ALDH1A1 | |
| SCHEMBL14750946 | 0.73 | TSHR (0.54) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL30388760 | 0.73 | TSHR (0.54) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL9701875 | 0.72 | CYP3A4 (0.54) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL6815592 | 0.72 | PNMT (0.47) | TSHRTP53CYP1A2KIF11HTT | |
| SCHEMBL1323303 | 0.71 | MAOA (0.50) | TSHRTP53MCL1BCL2A1CYP1A2 |
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-111170895-B | 2-hydroxyguanidine compound and preparation method thereof | 复旦大学附属华山医院 | 2023-04-14 | — | — | CN | disclosed |