Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27616393 | 0.89 | TAAR1 (0.44) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL25054946 | 0.85 | ESR1 (0.47) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL5160662 | 0.84 | TAAR1 (0.52) | TAAR1MAOBIDO1KIF11KMT2A | |
| SCHEMBL11609990 | 0.83 | TAAR1 (0.41) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL21654179 | 0.81 | ESR1 (0.41) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL28754330 | 0.80 | MAOB (0.39) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL27597565 | 0.80 | TAAR1 (0.39) | TAAR1MAOBIDO1ESR1ESR2 | |
| SCHEMBL10262801 | 0.80 | TAAR1 (0.45) | TAAR1MAOBIDO1ALDH1A1PYCR1 | |
| SCHEMBL27597608 | 0.80 | LOXL2 (0.43) | TAAR1MAOBIDO1ALDH1A1ESR1 | |
| SCHEMBL27616404 | 0.79 | MAOB (0.38) | TAAR1MAOBIDO1ALDH1A1PYCR1 |
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 |