Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL360081 | 1.00 | NPC1 (0.53) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL3395172 | 0.79 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL3392885 | 0.79 | NPC1 (0.56) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL2927664 | 0.76 | CTSL (0.58) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL12931786 | 0.74 | MAPT (0.55) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL3395175 | 0.73 | SPR (0.62) | NPC1RAB9APKMKMT2AMEN1 | |
| SCHEMBL3392887 | 0.73 | SPR (0.62) | NPC1RAB9APKMKMT2AMEN1 | |
| SCHEMBL10364511 | 0.73 | HSD11B1 (0.53) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL2855932 | 0.73 | NPC1 (0.69) | NPC1RAB9APKMSMN1; SMN2MAPT | |
| SCHEMBL2857152 | 0.72 | NPC1 (0.91) | NPC1RAB9APKMSMN1; SMN2MAPT |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |