Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29191109 | 1.00 | TSHR (0.85) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL11278251 | 0.92 | TSHR (1.00) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL29191099 | 0.92 | TSHR (0.72) | TSHRKMT2AMEN1ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL11240169 | 0.91 | TSHR (0.97) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL29191108 | 0.90 | MEN1 (0.86) | TSHRKMT2AMEN1ALDH1A1TP53 | |
| SCHEMBL29191113 | 0.87 | TDP1 (0.68) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL29191101 | 0.85 | GAA (0.85) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL29191110 | 0.83 | MEN1 (0.62) | TSHRKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL11665788 | 0.82 | TSHR (0.71) | TSHRKMT2AMEN1ALDH1A1MAPK1 | |
| SCHEMBL29191104 | 0.80 | TSHR (0.56) | TSHRKMT2AMEN1ALDH1A1GAA |
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-117886779-A | Piperazine alcohol compound with chiral hydroxyl, preparation method and medical application thereof | 徐州医科大学 | 2024-04-16 | — | — | CN | disclosed |