Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559095 | 0.84 | TAAR1 (0.52) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL3255075 | 0.83 | TAAR1 (0.55) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL3257448 | 0.83 | TAAR1 (0.55) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL4878820 | 0.81 | TAAR1 (0.58) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL2377120 | 0.81 | PNMT (0.50) | TAAR1AOC3CHRM2CHRM1CHRM3 | |
| SCHEMBL4978187 | 0.79 | MAOA (0.57) | PTGS2ALDH1A1CYP3A4 | |
| SCHEMBL7808087 | 0.78 | GRM2 (0.48) | PTGS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL663350 | 0.78 | PTGS2 (0.46) | PTGS2SMN1; SMN2IDO1 | |
| SCHEMBL5584322 | 0.77 | TBXA2R (0.58) | TAAR1AOC3HTR3EHTR3BHTR3A | |
| SCHEMBL2284428 | 0.77 | TAAR1 (0.49) | TAAR1AOC3CHRM2CHRM1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571405-A1 | PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE. | HOECHST AG (DE) | 1993-12-01 | — | — | EP | disclosed |
| WO-1992014700-A1 | PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-03 | — | — | WO | disclosed |