Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19928689 | 0.86 | ALDH1A1 (0.43) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL17271431 | 0.83 | CHRM2 (0.51) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL26129355 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL15629359 | 0.82 | CHRM2 (0.50) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL31479199 | 0.81 | CHRM2 (0.52) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL23464917 | 0.80 | CHRM5 (0.75) | ALDH1A1CHRM3CHRM5SIGMAR1NPC1 | |
| SCHEMBL14204029 | 0.80 | CYP1A2 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL30845441 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CHRM3CHRM5SIGMAR1NPC1 | |
| SCHEMBL18502954 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CHRM3CHRM5NPC1MAPT | |
| SCHEMBL4360565 | 0.78 | CHRM2 (0.52) | ALDH1A1CHRM3CHRM2CHRM4CHRM1 |
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-113423711-B | Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof | 建新公司 | 2024-03-15 | — | — | CN | disclosed |