Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPRF | P10586 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28303653 | 0.77 | BACE1 (0.38) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL28806317 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL29281412 | 0.75 | ALDH1A1 (0.35) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL6762451 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| Hydrochloric Acid SCHEMBL911083 | 0.75 | ALDH1A1 (0.35) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL28149503 | 0.74 | ALDH1A1 (0.34) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL3383290 | 0.72 | ALDH1A1 (0.33) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL911084 | 0.72 | CYP2A6 (0.33) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL29742160 | 0.72 | CYP2A6 (0.33) | ALDH1A1MAPK1PTPN1BACE1PTPRC | |
| SCHEMBL7542406 | 0.72 | ALDH1A1 (0.33) | ALDH1A1MAPK1PTPN1BACE1PTPRC |
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-107108614-A | It is used as the substituted pyrrolopyridine of Bu Luomo domain inhibitor | 基因泰克公司 | 2017-08-29 | — | — | CN | disclosed |