Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL340372 | 0.85 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| Benzene SCHEMBL11030926 | 0.85 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL6503361 | 0.80 | CALM1 (0.41) | CALM1CES2CES1TSHRALDH1A1 | |
| Ethane SCHEMBL7199050 | 0.80 | TP53 (0.43) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL4197493 | 0.76 | CALM1 (0.38) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL777260 | 0.76 | TP53 (0.46) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL21111962 | 0.76 | LOXL2 (0.46) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL6915524 | 0.76 | SMN1; SMN2 (0.37) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL5074193 | 0.76 | MAOA (0.31) | CALM1 | |
| SCHEMBL11023124 | 0.74 | TP53 (0.44) | CALM1CES2CES1TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | claimed |
| WO-2023210623-A1 | HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME | 株式会社エス・ディー・エス バイオテック | 2023-11-02 | — | — | WO | disclosed |
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | disclosed |