Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4238317 | 0.85 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL4240553 | 0.76 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL3354437 | 0.71 | MAPT (0.44) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL3354402 | 0.70 | GRM4 (0.44) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL30000401 | 0.69 | KCNN1 (0.57) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL22583068 | 0.69 | KCNN1 (0.57) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL4237345 | 0.69 | KDR (0.40) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL15688114 | 0.69 | KDR (0.55) | NPC1RAB9AMEN1KMT2AKDR | |
| SCHEMBL4239119 | 0.68 | MEN1 (0.42) | NPC1RAB9AMEN1KMT2ACDK5 | |
| SCHEMBL4235797 | 0.68 | KDR (0.40) | NPC1RAB9AMEN1KMT2AKDR |
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 | disclosed |