Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6921574 | 0.83 | MCL1 (0.33) | EBPSIGMAR1 | |
| SCHEMBL15372877 | 0.74 | DHFR (0.53) | DHFRALDH1A1 | |
| SCHEMBL29727587 | 0.74 | ATM (0.42) | EBPSIGMAR1 | |
| SCHEMBL6918166 | 0.73 | PSMD14 (0.40) | EBPSIGMAR1FFAR1ALDH1A1 | |
| SCHEMBL6835187 | 0.71 | ESR1 (0.36) | EBPSIGMAR1 | |
| SCHEMBL6920878 | 0.71 | CA1 (0.37) | EBPSIGMAR1ALDH1A1 | |
| SCHEMBL6921008 | 0.69 | KMT2A (0.42) | ALDH1A1 | |
| SCHEMBL6920964 | 0.68 | KCNH2 (0.45) | ALDH1A1 | |
| SCHEMBL6821404 | 0.68 | TSHR (0.40) | ALDH1A1TDP1 | |
| SCHEMBL6840018 | 0.66 | ESR1 (0.37) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1385377-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089579-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |