Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4236523 | 0.96 | EGFR (0.41) | EGFRNPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4234156 | 0.95 | EGFR (0.41) | EGFRNPC1RAB9AMEN1KMT2A | |
| SCHEMBL4241653 | 0.91 | JAK2 (0.40) | EGFRNPC1RAB9AMEN1KMT2A | |
| SCHEMBL4235797 | 0.83 | KDR (0.40) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4241649 | 0.82 | GRK2 (0.40) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4239760 | 0.81 | MET (0.38) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4241553 | 0.78 | CREBBP (0.43) | EGFRTTKPIK3CDPIK3CAPIK3CB | |
| SCHEMBL4237571 | 0.76 | EGFR (0.41) | EGFRTTKADORA3PIK3CDPIK3CA | |
| SCHEMBL4233124 | 0.76 | NPC1 (0.36) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4243041 | 0.76 | SCD (0.43) | ADORA3CDK5ADORA2A |
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 |