Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | BCL6 | P41182 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29370381 | 0.85 | — | — | |
| SCHEMBL154798 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27782884 | 0.83 | — | — | |
| Trifluoromethylbenzene SCHEMBL27850302 | 0.80 | KDM4E (0.48) | ADORA3SLC6A2PDE4AKDRBCL6 | |
| Benzene SCHEMBL29138620 | 0.72 | BCL6 (0.52) | ADORA3SLC6A2PDE4AKDRBCL6 | |
| Propylamine SCHEMBL15720251 | 0.72 | ADORA3 (0.36) | ADORA3SLC6A2PDE4AKDRBCL6 | |
| Aniline SCHEMBL28021586 | 0.72 | TSHR (0.55) | ADORA3BCL6TSHRADORA2AADORA1 | |
| Biphenyl SCHEMBL27987857 | 0.72 | ADORA2A (0.56) | ADORA3BCL6ADORA2AADORA1KDM4E | |
| Chlorobenzene SCHEMBL10939803 | 0.72 | TSHR (0.55) | TSHRLMNAKDM4EALDH1A1GLA | |
| Chlorobenzene SCHEMBL27640363 | 0.70 | TSHR (0.69) | TSHRLMNAKDM4EALDH1A1GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100417324-C | Compsn. of agricultural pesticide and preparation method | UNIV BEIJING CHEMICAL (CN) | 2008-09-10 | — | — | CN | disclosed |
| CN-1695446-A | Compsn. of agricultural pesticide and preparation method | UNIV BEIJING CHEMICAL (CN) | 2005-11-16 | — | — | CN | disclosed |