Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11139975 | 0.83 | KDM4E (0.46) | CASP6ADORA2APDCD1CD274KDM4E | |
| SCHEMBL477370 | 0.79 | KDM4E (0.50) | CASP6PDCD1CD274KDM4ECYP1A2 | |
| SCHEMBL6409480 | 0.78 | DPP4 (0.54) | CASP6ADORA2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL23082861 | 0.78 | CYP2D6 (0.44) | CASP6ADORA2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL29473237 | 0.78 | DPP4 (0.54) | CASP6ADORA2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL1221964 | 0.78 | PDCD1 (0.54) | ADORA2AHTR2BGPR68PDCD1CD274 | |
| Methane SCHEMBL28035176 | 0.78 | KDM4E (0.48) | CASP6PDCD1CD274KDM4ECYP1A2 | |
| SCHEMBL28966789 | 0.77 | CASP6 (0.42) | CASP6KDM4ECYP1A2CYP2D6ALDH1A1 | |
| Methane SCHEMBL28337075 | 0.76 | KDM4E (0.46) | CASP6ADORA2APDCD1CD274KDM4E | |
| SCHEMBL14862843 | 0.76 | CASP6 (0.40) | CASP6ADORA2AKDM4ECYP1A2CYP2D6 |
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-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |