Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24682676 | 0.87 | PIK3CA (0.44) | ELANECHRNB2CHRNA4PIK3CAMTOR | |
| SCHEMBL15095879 | 0.83 | PIK3CA (0.48) | ELANECHRNB2CHRNA4PIK3CAMTOR | |
| SCHEMBL1393634 | 0.81 | NOS3 (0.38) | CHRNB2CHRNA4PIK3CAMTORSYK | |
| SCHEMBL23865820 | 0.81 | SYK (0.35) | CHRNB2CHRNA4SYKCHRNB4CHRNA3 | |
| SCHEMBL21707134 | 0.78 | HSD11B1 (0.35) | SYKCHRNB4CHRNA3 | |
| SCHEMBL23228753 | 0.77 | ELANE (0.41) | ELANECHRNB2CHRNA4SMN1; SMN2ALDH1A1 | |
| SCHEMBL22296208 | 0.76 | CHRM4 (0.39) | ELANECHRNB2CHRNA4ABL1PIK3CA | |
| SCHEMBL15811948 | 0.76 | HRH3 (0.45) | PDE4BKCNH2 | |
| SCHEMBL17207204 | 0.75 | ELANE (0.41) | ELANECHRNB2CHRNA4PIK3CAMTOR | |
| SCHEMBL17665098 | 0.75 | ADRB1 (0.45) | ELANEMAPTRAB9ASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3689871-A1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |