Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7689397 | 0.77 | ADORA3 (0.77) | ADORA3ALDH1A1CACNA1DTRPV1HTT | |
| SCHEMBL7386505 | 0.71 | ADORA3 (0.56) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL7687629 | 0.68 | ADORA3 (0.75) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL19732959 | 0.66 | USP2 (0.56) | ALDH1A1SMN1; SMN2POLBKMT2A | |
| SCHEMBL19732960 | 0.66 | USP2 (0.56) | ALDH1A1SMN1; SMN2POLBKMT2A | |
| SCHEMBL9870081 | 0.65 | ALDH1A1 (0.41) | ADORA3ALDH1A1TMIGD3TRPV1SMN1; SMN2 | |
| SCHEMBL10830868 | 0.61 | ABCC1 (0.52) | ALDH1A1CACNA1DSMN1; SMN2MAPK1MAPT | |
| Biphenyl SCHEMBL1050110 | 0.59 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2MAPTL3MBTL1LMNA | |
| Biphenyl SCHEMBL15333645 | 0.59 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2MAPTL3MBTL1LMNA | |
| Biphenyl SCHEMBL22163814 | 0.58 | MAPT (0.61) | ALDH1A1SMN1; SMN2MAPTL3MBTL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |