Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Butylbenzyl SCHEMBL5394256 | 0.89 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL27323048 | 0.88 | HPGD (0.55) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL27405586 | 0.88 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL27457857 | 0.88 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Formamide SCHEMBL28139443 | 0.87 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1HPGDHSD17B10CA2 | |
| Butylbenzyl SCHEMBL27699289 | 0.87 | MAOA (0.56) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL16051 | 0.87 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL22716183 | 0.87 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL3229215 | 0.87 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 | |
| Butylbenzyl SCHEMBL28597491 | 0.85 | ALDH1A1 (0.61) | SIGMAR1ALDH1A1HPGDHSD17B10KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106661035-B | The Pyrazolopyrimidine derivative of inhibitor as bruton's tyrosine kinase | 洛克索肿瘤学股份有限公司 | 2019-11-19 | — | — | CN | disclosed |
| CN-105523954-B | The alkoxy benzamides class phosphodiesterase 4 inhibitors of 3 the third methoxyl group of ring 4 | 徐江平 | 2017-07-18 | — | — | CN | disclosed |
| CN-106661035-A | Pyrazolopyrimidine derivatives as inhibitors of bruton's tyrosine kinase | 莱德克斯制药公共有限公司 | 2017-05-10 | — | — | CN | disclosed |