Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 2/20 | 0.57 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NQO1 | P15559 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30228533 | 1.00 | PDGFRB (0.57) | PDGFRBPDGFRAMAOAMAOBNPC1 | |
| SCHEMBL4486496 | 0.88 | KDM4E (0.70) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30228475 | 0.85 | KDM4E (0.66) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5682765 | 0.85 | KDM4E (0.66) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14500755 | 0.84 | NPC1 (0.59) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30228591 | 0.83 | NPC1 (0.58) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5547120 | 0.83 | NPC1 (0.54) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21282172 | 0.82 | NPC1 (0.61) | PDGFRBPDGFRANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2162844 | 0.81 | APP (0.57) | MAOAMAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3012991 | 0.81 | MAP4K4 (0.57) | PDGFRBPDGFRANPC1RAB9ASMN1; SMN2 |
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 |