Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 17/20 | 0.50 |
| ▸ | RAB9A | P51151 | 16/20 | 0.50 |
| ▸ | MEN1 | O00255 | 13/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 13/20 | 0.50 |
| ▸ | MECP2 | P51608 | 1/20 | 0.49 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.49 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.49 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.49 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4058319 | 0.86 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL3354574 | 0.83 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL4236252 | 0.82 | ACHE (0.36) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL4241589 | 0.76 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL370409 | 0.74 | GRM4 (0.57) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL4237850 | 0.72 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AGRM4 | |
| SCHEMBL4061311 | 0.70 | MEN1 (0.57) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL4064704 | 0.70 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL4241658 | 0.69 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AMECP2 | |
| SCHEMBL3354435 | 0.69 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AMECP2 |
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-2009010871-A2 | PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR | ADDEX PHARMA S.A. (CH) | 2009-01-22 | — | — | WO | claimed |