Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6818015 | 0.96 | ACP1 (0.36) | HSP90AA1HSP90AB1KCNH2CRHR1CRHR2 | |
| SCHEMBL6817674 | 0.88 | CRHR1 (0.36) | CRHR1CRHR2CCNT1 | |
| SCHEMBL6817777 | 0.85 | BRD4 (0.37) | CRHR1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL6818255 | 0.85 | CRHR1 (0.36) | CRHR1CRHR2CCNT1 | |
| SCHEMBL6817664 | 0.85 | KMT5A (0.34) | HSP90AA1HSP90AB1CRHR1ACP1KMT5A | |
| SCHEMBL6817843 | 0.84 | SCN9A (0.37) | CRHR1CCNT1CDK9ACP1KMT5A | |
| SCHEMBL6813647 | 0.83 | ACP1 (0.43) | CRHR1CRHR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6817921 | 0.83 | MAPT (0.36) | KCNH2CRHR1CRHR2CHRNB2CHRNB4 | |
| SCHEMBL6817679 | 0.83 | STK17B (0.35) | KMT5A | |
| SCHEMBL6817700 | 0.80 | MAPT (0.35) | KCNH2CRHR1CRHR2CHRNB2CHRNB4 |
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-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |