Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28845980 | 1.00 | SMN1; SMN2 (0.49) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL15761572 | 0.92 | ALDH1A1 (0.49) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL28845978 | 0.92 | ALDH1A1 (0.49) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL28845986 | 0.89 | PPARA (0.56) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL28845985 | 0.89 | PPARA (0.56) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL29935451 | 0.85 | ADRB2 (0.55) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL8171177 | 0.85 | ALDH1A1 (0.54) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL2158928 | 0.84 | MAPT (0.53) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL12396358 | 0.84 | MAPT (0.53) | SMN1; SMN2GAAMAPTALDH1A1NPC1 | |
| SCHEMBL13913371 | 0.81 | PPARG (0.56) | SMN1; SMN2GAAMAPTALDH1A1PPARG |
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-115073442-A | Disulfide bond-containing compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |