Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7130747 | 0.79 | ADH1B (0.53) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12196126 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| 1,3-Dicyclohexylurea SCHEMBL2755 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15093798 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24308699 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23960132 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12196125 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24308701 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12196101 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5265524 | 0.77 | EPHX1 (1.00) | EPHX1EPHX2NPC1RAB9ASMN1; 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-108658897-A | Acetobenzylamide piperazine（Pyridine）Analog derivative and its application as neuroprotection agent | 上海医药工业研究院 | 2018-10-16 | — | — | CN | disclosed |