Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 9/20 | 0.59 |
| ▸ | RAB9A | P51151 | 8/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.59 |
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29242622 | 0.93 | CYP1A2 (0.70) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL14499419 | 0.89 | MAPT (0.72) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL14499420 | 0.89 | MAPT (0.72) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL1383868 | 0.86 | NPC1 (0.74) | NPC1RAB9ASMN1; SMN2KMT2AMAPT | |
| SCHEMBL12611073 | 0.85 | CYP1A2 (0.63) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL10848884 | 0.83 | CYP1A2 (0.87) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL8188470 | 0.81 | NPC1 (0.66) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL12308327 | 0.80 | HSD17B10 (0.63) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL17776530 | 0.80 | GAA (0.88) | CYP1A2CYP2C19NPSR1NPC1RAB9A | |
| SCHEMBL788995 | 0.79 | SMN1; SMN2 (0.81) | CYP1A2CYP2C19NPSR1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |