Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.52 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 6/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13957453 | 0.80 | CAPN1 (0.56) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL208051 | 0.79 | CAPN1 (0.59) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL29935857 | 0.79 | CAPN1 (0.59) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL3741787 | 0.79 | KMT2A (0.56) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL27471064 | 0.77 | CYP2A6 (0.58) | KMT2AMEN1NPC1USP2RAB9A | |
| SCHEMBL27640766 | 0.76 | MPO (0.56) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL3688403 | 0.75 | HPGD (0.60) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL3688400 | 0.75 | HPGD (0.60) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL19178972 | 0.72 | TDO2 (0.78) | CAPN1CAPN2GPR84KMT2AMEN1 | |
| SCHEMBL21665304 | 0.72 | CAPN1 (0.59) | CAPN1CAPN2GPR84KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112867715-A | 5-azaindazole derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2021-05-28 | — | — | CN | claimed |