Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 1/20 | 0.40 |
| ▸ | GRK5 | P34947 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CCND1 | P24385 | 2/20 | 0.38 |
| ▸ | CCND2 | P30279 | 2/20 | 0.38 |
| ▸ | CCND3 | P30281 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4243830 | 0.82 | EGFR (0.39) | LRRK2CDK4CDK2NPC1RAB9A | |
| SCHEMBL4236523 | 0.80 | EGFR (0.41) | NPC1RAB9AMEN1KMT2ACASP3 | |
| Hydrochloric Acid SCHEMBL4234156 | 0.79 | EGFR (0.41) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4235797 | 0.77 | KDR (0.40) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4241653 | 0.76 | JAK2 (0.40) | CLK2LRRK2CDK2NPC1RAB9A | |
| SCHEMBL4239760 | 0.75 | MET (0.38) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL3359286 | 0.73 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL24290352 | 0.71 | JAK2 (0.47) | CLK2LRRK2KDRJAK2JAK1 | |
| SCHEMBL4233124 | 0.70 | NPC1 (0.36) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4243041 | 0.70 | SCD (0.43) | CDK5ADORA3 |
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 |