Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9297878 | 1.00 | ALDH1A1 (0.44) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL9297873 | 1.00 | ALDH1A1 (0.44) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL6788202 | 0.84 | TSHR (0.45) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL9298265 | 0.84 | TSHR (0.45) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL7479588 | 0.82 | ALDH1A1 (0.42) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL4940750 | 0.82 | SLC6A3 (0.49) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL30522901 | 0.78 | SLC6A3 (0.56) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL1565500 | 0.78 | SLC6A3 (0.56) | ALDH1A1LMNAHTTSMN1; SMN2TSHR | |
| SCHEMBL9298515 | 0.77 | BRD4 (0.45) | LMNATSHRCYP3A4CYP2D6 | |
| SCHEMBL75858 | 0.77 | BRD4 (0.45) | LMNATSHRCYP3A4CYP2D6 |
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-116715634-A | Compound, pharmaceutical composition and application thereof in preparation of vasodilation drugs | 山东第一医科大学(山东省医学科学院) | 2023-09-08 | — | — | CN | disclosed |