Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL18415514 | 0.85 | EPHX2 (0.48) | EPHX2KMT2ANPC1MITFMAPK1 | |
| SCHEMBL20194449 | 0.84 | THRB (0.48) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL18415438 | 0.81 | LCK (0.57) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL18415512 | 0.79 | KMT2A (0.51) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL18415532 | 0.78 | ALDH1A1 (0.50) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL18415570 | 0.78 | ALDH1A1 (0.56) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL18415576 | 0.77 | RAB9A (0.54) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL18415518 | 0.76 | ALDH1A1 (0.49) | KMT2ANPC1MITFMAPK1RAB9A | |
| SCHEMBL20194451 | 0.74 | THRB (0.44) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL18415508 | 0.69 | KDM4E (0.49) | KMT2ANPC1MITFMAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3326715-A1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2018-05-30 | — | — | EP | disclosed |