Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31117942 | 0.82 | TAAR1 (0.50) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL11970972 | 0.80 | RIPK1 (0.47) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL1691374 | 0.77 | RIPK1 (0.47) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL4656444 | 0.75 | TAAR1 (0.39) | TAAR1IDO1TSHRPYCR1CYP1A2 | |
| SCHEMBL30388724 | 0.74 | RIPK1 (0.45) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL15638695 | 0.74 | TAAR1 (0.50) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL18623577 | 0.74 | TAAR1 (0.44) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL2401345 | 0.74 | RIPK1 (0.45) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| SCHEMBL263115 | 0.73 | TAAR1 (0.46) | TAAR1IDO1RIPK1TSHRNR3C1 | |
| Hydrochloric Acid SCHEMBL12802349 | 0.72 | IDO1 (0.48) | TAAR1IDO1RIPK1TSHRNR3C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100584823-C | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO | 2010-01-27 | — | — | CN | disclosed |
| CN-100376549-C | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-03-26 | — | — | CN | disclosed |
| CN-101033200-A | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2007-09-12 | — | — | CN | disclosed |
| CN-1639114-A | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2005-07-13 | — | — | CN | disclosed |