Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29935359 | 0.85 | SMN1; SMN2 (0.49) | PPARGPPARAMAPTALDH1A1KDM4E | |
| SCHEMBL28845980 | 0.85 | SMN1; SMN2 (0.49) | PPARGPPARAMAPTALDH1A1KDM4E | |
| SCHEMBL3935722 | 0.83 | PPARG (0.56) | PPARGPPARAMAPTALDH1A1GAA | |
| SCHEMBL13913371 | 0.83 | PPARG (0.56) | PPARGPPARAMAPTALDH1A1GAA | |
| SCHEMBL1620272 | 0.83 | PPARG (0.56) | PPARGPPARAMAPTALDH1A1GAA | |
| SCHEMBL8171177 | 0.77 | ALDH1A1 (0.54) | PPARGPPARAMAPTALDH1A1KDM4E | |
| SCHEMBL5147742 | 0.77 | PPARG (0.45) | PPARGPPARAMAPTALDH1A1KDM4E | |
| SCHEMBL12396358 | 0.76 | MAPT (0.53) | ADRB2ADRB1ADRB3PPARGPPARA | |
| SCHEMBL2158928 | 0.76 | MAPT (0.53) | ADRB2ADRB1ADRB3PPARGPPARA | |
| SCHEMBL28845978 | 0.76 | ALDH1A1 (0.49) | ADRB2ADRB1ADRB3PPARGPPARA |
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 |