Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | FOS | P01100 | 2/20 | 0.41 |
| ▸ | JUN | P05412 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8871467 | 0.83 | BAZ2B (0.47) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 | |
| SCHEMBL2186999 | 0.80 | KDM4E (0.42) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 | |
| SCHEMBL2188450 | 0.79 | BAZ2B (0.43) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 | |
| SCHEMBL2185981 | 0.77 | KDM4E (0.53) | TSHRKDM4EALDH1A1HSD17B10HDAC4 | |
| SCHEMBL10560157 | 0.76 | KDM4E (0.42) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 | |
| SCHEMBL11937691 | 0.74 | HPGD (0.43) | TSHRKDM4EALDH1A1HTTHPGD | |
| SCHEMBL1994129 | 0.72 | TSHR (0.67) | TSHRKDM4EALDH1A1HSD17B10HDAC4 | |
| SCHEMBL3979313 | 0.72 | AR (0.38) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 | |
| SCHEMBL18149761 | 0.71 | DGAT1 (0.41) | BAZ2BBAZ2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL18149668 | 0.70 | FOS (0.38) | BAZ2BBAZ2ATSHRKDM4EALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101538243-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2012-05-09 | — | — | CN | disclosed |
| CN-101544606-B | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2012-02-29 | — | — | CN | disclosed |
| EP-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | disclosed |
| CN-1910147-B | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO | 2011-04-20 | — | — | CN | disclosed |
| CN-101544606-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-30 | — | — | CN | disclosed |
| CN-101538243-A | Malononitrile compound and use thereof | SUMITOMO CHEMICAL CO | 2009-09-23 | — | — | CN | disclosed |
| CN-1910147-A | Malononitrile compounds and their use | SUMITOMO CHEMICAL CO (JP) | 2007-02-07 | — | — | CN | disclosed |
| EP-1710234-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |