Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL30228559 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1HTTMAPK1 | |
| SCHEMBL28992114 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1HTTMAPK1 | |
| SCHEMBL30228856 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1HTTMAPK1 | |
| SCHEMBL30228528 | 0.89 | RAB9A (0.41) | ALDH1A1KDM4EHTTRAB9ANPC1 | |
| SCHEMBL30228810 | 0.86 | MIF (0.41) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL21864827 | 0.85 | KDM4E (0.37) | KDM4ERAB9ANPC1MAPT | |
| SCHEMBL21864837 | 0.84 | KDM4E (0.42) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL28992119 | 0.84 | MIF (0.42) | KDM4ERAB9ANPC1MAPT | |
| SCHEMBL21865489 | 0.83 | KDM4E (0.43) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL21864962 | 0.83 | KDM4E (0.41) | ALDH1A1KDM4ERAB9ANPC1MAPT |
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-109988106-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-03-31 | — | — | CN | disclosed |