Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6835187 | 0.80 | ESR1 (0.36) | KIF11DAOCTSSCTSK | |
| SCHEMBL6918166 | 0.80 | PSMD14 (0.40) | FFAR1 | |
| SCHEMBL6840030 | 0.78 | KIF11 (0.40) | KIF11ARDAOFFAR1P2RX7 | |
| SCHEMBL6840018 | 0.76 | ESR1 (0.37) | KIF11DAOCTSSCTSK | |
| SCHEMBL7066297 | 0.75 | POLQ (0.37) | ARDAO | |
| SCHEMBL6821404 | 0.74 | TSHR (0.40) | PPARGPPARDPPARA | |
| SCHEMBL6920878 | 0.71 | CA1 (0.37) | — | |
| SCHEMBL12142093 | 0.71 | KIF11 (0.50) | KIF11DAOFFAR1P2RX7 | |
| SCHEMBL12143530 | 0.71 | DAO (0.51) | KIF11DAOFFAR1CTSSCTSK | |
| SCHEMBL4657487 | 0.71 | ALDH1A1 (0.33) | — |
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 |