Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.35 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4767470 | 1.00 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4792631 | 0.87 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4792628 | 0.87 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4792629 | 0.87 | SMN1; SMN2 (0.35) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4769797 | 0.86 | PDE4A (0.37) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4769812 | 0.86 | PDE4A (0.37) | NPC1RAB9ASMN1; SMN2MTORACKR3 | |
| SCHEMBL4858967 | 0.80 | HSP90AA1 (0.44) | MTORHSP90AA1GRM1ALDH1A1MEN1 | |
| SCHEMBL4769541 | 0.79 | MAPT (0.37) | HDAC2MITFALDH1A1MAPTPKM | |
| SCHEMBL4769532 | 0.79 | MAPT (0.37) | HDAC2MITFALDH1A1MAPTPKM | |
| SCHEMBL4762674 | 0.78 | ADORA2A (0.36) | ALDH1A1KDM4EMAPK1 |
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-1678181-B1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-12-31 | — | — | EP | disclosed |