Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | BCL9 | O00512 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15761572 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29935359 | 0.92 | SMN1; SMN2 (0.49) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28845980 | 0.92 | SMN1; SMN2 (0.49) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28845986 | 0.91 | PPARA (0.56) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28845985 | 0.91 | PPARA (0.56) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12396358 | 0.85 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL2158928 | 0.85 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12279801 | 0.85 | PPARG (0.48) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL8171177 | 0.84 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL1935058 | 0.82 | MAPT (0.66) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A |
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 |