Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | CNR1 | P21554 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25424005 | 0.90 | HTR2C (0.34) | PDE10AKDM4EPDGFRBPDGFRAPDE3B | |
| SCHEMBL22246568 | 0.77 | RAPGEF4 (0.32) | — | |
| SCHEMBL11836850 | 0.77 | CHRM4 (0.35) | ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL28427713 | 0.75 | TDO2 (0.36) | ALDH1A1POLB | |
| SCHEMBL3683774 | 0.73 | PDE5A (0.36) | PDE3BPDE3AALDH1A1HTR2APOLB | |
| SCHEMBL22234302 | 0.73 | TDO2 (0.35) | KDM4EPDE3BPDE3AALDH1A1POLB | |
| SCHEMBL11839119 | 0.73 | ALDH1A1 (0.33) | KDM4EPDE3BPDE3AALDH1A1MEN1 | |
| SCHEMBL11392186 | 0.73 | NUDT1 (0.33) | PDE3BPDE3ACNR2CNR1ALDH1A1 | |
| SCHEMBL20077896 | 0.71 | PDE5A (0.34) | PDE3BPDE3AHTR2A | |
| SCHEMBL3085369 | 0.69 | PKM (0.36) | HTR2APOLBPKM |
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-1910156-B | Malononitrile compound as pesticide | SUMITOMO CHEMICAL CO | 2011-08-17 | — | — | CN | disclosed |
| CN-1910156-A | Malononitrile compound as pesticide | SUMITOMO CHEMICAL CO (JP) | 2007-02-07 | — | — | CN | disclosed |