Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10262801 | 0.82 | TAAR1 (0.45) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL11514383 | 0.79 | TAAR1 (0.40) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL22296458 | 0.79 | SLC6A2 (0.50) | TAAR1ALDH1A1 | |
| SCHEMBL1691810 | 0.79 | ESR1 (0.54) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL25054946 | 0.78 | ESR1 (0.47) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL27616396 | 0.78 | TAAR1 (0.47) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL19215824 | 0.78 | TAAR1 (0.54) | TAAR1IDO1MAOBALDH1A1KDM4E | |
| SCHEMBL7394946 | 0.77 | ESR1 (0.31) | ESR1 | |
| SCHEMBL11609990 | 0.77 | TAAR1 (0.41) | TAAR1IDO1MAOBALDH1A1PYCR1 | |
| SCHEMBL27003039 | 0.76 | ALDH1A1 (0.42) | TAAR1IDO1ALDH1A1KIF11MGLL |
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 |