Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30293234 | 1.00 | PDE3B (0.49) | PDE3BPDE3AALDH1A1GAATSHR | |
| SCHEMBL7826091 | 0.88 | PDE3B (0.50) | PDE3BPDE3AALDH1A1GAATSHR | |
| SCHEMBL7945190 | 0.87 | ALDH1A1 (0.48) | PDE3BPDE3AALDH1A1GAATSHR | |
| SCHEMBL28978973 | 0.85 | BRD4 (0.38) | ALDH1A1MAOAMAOB | |
| SCHEMBL7833042 | 0.84 | PDE3B (0.47) | PDE3BPDE3AALDH1A1SRCPOLB | |
| SCHEMBL7945047 | 0.80 | BRD4 (0.46) | GAAMTNR1AMTNR1BMAPTMEN1 | |
| SCHEMBL30293258 | 0.80 | BRD4 (0.46) | GAAMTNR1AMTNR1BMAPTMEN1 | |
| SCHEMBL21061523 | 0.80 | PDE3B (0.48) | PDE3BPDE3AALDH1A1GAATSHR | |
| Hydrochloric Acid SCHEMBL30293266 | 0.79 | BRD4 (0.45) | GAAMTNR1AMTNR1BMAPTMEN1 | |
| SCHEMBL4898004 | 0.77 | PDE3B (0.54) | PDE3BPDE3AALDH1A1GAATSHR |
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 |