Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CBX7 | O95931 | 1/20 | 0.44 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL2270260 | 0.83 | PGR (0.70) | PGRAKR1B1PDE7AALDH1A1CA1 | |
| SCHEMBL15619568 | 0.80 | BRD4 (0.62) | PGRAKR1B1PDE7AALDH1A1KMT2A | |
| SCHEMBL20436366 | 0.77 | CYP1A2 (0.54) | AKR1B1ALDH1A1CA1CA2CA4 | |
| SCHEMBL13431426 | 0.77 | BRD4 (0.54) | PGRAKR1B1PDE7AALDH1A1CBX7 | |
| SCHEMBL29487409 | 0.77 | PDE7A (0.55) | PGRAKR1B1PDE7AALDH1A1PDE3B | |
| SCHEMBL28578842 | 0.77 | PDE7A (0.55) | PGRAKR1B1PDE7AALDH1A1PDE3B | |
| SCHEMBL25313851 | 0.76 | CYP1A2 (0.53) | PGRAKR1B1KMT2ABRD4 | |
| SCHEMBL10116531 | 0.76 | TGM2 (0.41) | PGRALDH1A1KMT2AMEN1PDE3B | |
| SCHEMBL3524533 | 0.76 | LMNA (0.57) | AKR1B1ALDH1A1KMT2AMEN1GAA | |
| SCHEMBL30132814 | 0.76 | CYP1A2 (0.53) | PGRAKR1B1KMT2ABRD4 |
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-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |