Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28754330 | 0.95 | MAOB (0.39) | MAOBTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL27616393 | 0.83 | TAAR1 (0.44) | MAOBTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL21654179 | 0.83 | ESR1 (0.41) | MAOBTAAR1IDO1ALDH1A1LMNA | |
| SCHEMBL5160662 | 0.81 | TAAR1 (0.52) | MAOBTAAR1IDO1 | |
| SCHEMBL27597565 | 0.81 | TAAR1 (0.39) | MAOBTAAR1IDO1LMNAHTT | |
| SCHEMBL25054946 | 0.79 | ESR1 (0.47) | MAOBTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL27616396 | 0.79 | TAAR1 (0.47) | MAOBTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL11609990 | 0.77 | TAAR1 (0.41) | MAOBTAAR1IDO1ALDH1A1KDM4E | |
| SCHEMBL20576995 | 0.77 | TRPA1 (0.44) | TAAR1ALDH1A1KDM4ELMNAPPARA | |
| SCHEMBL20576990 | 0.77 | TRPA1 (0.44) | TAAR1ALDH1A1KDM4ELMNAPPARA |
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 |