Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27834649 | 0.87 | NCF1 (0.71) | NCF1MC4RRAB9AKDM4EALDH1A1 | |
| SCHEMBL27598226 | 0.81 | NCF1 (0.56) | NCF1MC4RKDM4EHTR1AHTR1D | |
| SCHEMBL16814882 | 0.80 | NCF1 (0.77) | NCF1MC4RRAB9AKDM4EALDH1A1 | |
| SCHEMBL111729 | 0.80 | NCF1 (0.72) | NCF1MC4RRAB9AKDM4EALDH1A1 | |
| SCHEMBL110927 | 0.79 | NCF1 (0.87) | NCF1KDM4EHTR1ADRD2DRD4 | |
| SCHEMBL29505669 | 0.79 | NCF1 (0.87) | NCF1KDM4EHTR1ADRD2DRD4 | |
| SCHEMBL16814951 | 0.78 | NCF1 (0.70) | NCF1RAB9AKDM4EALDH1A1PLA2G1B | |
| SCHEMBL110730 | 0.78 | NCF1 (0.70) | NCF1RAB9AKDM4EALDH1A1PLA2G1B | |
| SCHEMBL28753504 | 0.77 | NCF1 (0.55) | NCF1MC4RRAB9AKDM4EALDH1A1 | |
| SCHEMBL1902630 | 0.77 | NCF1 (0.55) | NCF1MC4RRAB9AKDM4EHTR1A |
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-1501934-A | Novel 3-c(o)r substituted 10-cyclohexylbenzoyl pyrrolobenzodiazepines, tocolytic oxytocin receptor antagonists | 惠氏公司 | 2004-06-02 | — | — | CN | claimed |
| CN-1241916-C | Novel acardite compound, its preparation method and medicinal composition containing said compound | SERVIER LAB (FR) | 2006-02-15 | — | — | CN | disclosed |
| CN-1501934-A | Novel 3-c(o)r substituted 10-cyclohexylbenzoyl pyrrolobenzodiazepines, tocolytic oxytocin receptor antagonists | 惠氏公司 | 2004-06-02 | — | — | CN | disclosed |