Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14605001 | 1.00 | PTGS1 (0.47) | PTGS1BCL2L1CES2CES1HTT | |
| SCHEMBL9516872 | 0.83 | PTGS1 (0.47) | PTGS1BCL2L1CES2CES1GSK3B | |
| SCHEMBL10951770 | 0.83 | PTGS1 (0.47) | PTGS1BCL2L1CES2CES1GSK3B | |
| SCHEMBL9516877 | 0.83 | PTGS1 (0.47) | PTGS1BCL2L1CES2CES1GSK3B | |
| SCHEMBL8747515 | 0.81 | PTGS1 (0.46) | PTGS1BCL2L1CES2CES1GSK3B | |
| SCHEMBL8747511 | 0.81 | PTGS1 (0.46) | PTGS1BCL2L1CES2CES1GSK3B | |
| SCHEMBL10579685 | 0.80 | ESR1 (0.54) | PTGS1LMNATSHRALOX15CYP3A4 | |
| SCHEMBL10446347 | 0.80 | ALDH1A1 (0.41) | CES2CES1HTTGSK3BLMNA | |
| SCHEMBL11485606 | 0.80 | ESR1 (0.54) | PTGS1LMNATSHRALOX15CYP3A4 | |
| SCHEMBL19073754 | 0.80 | ALDH1A1 (0.41) | CES2CES1HTTGSK3BLMNA |
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 |