Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10354426 | 0.84 | CYP2A6 (0.34) | CYP2A6CYP2B6CYP2E1CYP11B2KMT2A | |
| SCHEMBL10989568 | 0.84 | CYP2A6 (0.34) | CYP2A6CYP2B6CYP2E1CYP11B2KMT2A | |
| SCHEMBL8522 | 0.78 | KMT2A (0.48) | TSHRKMT2A | |
| SCHEMBL29427147 | 0.78 | KMT2A (0.48) | TSHRKMT2A | |
| SCHEMBL116043 | 0.76 | ALOX5AP (0.39) | CYP2A6CYP2B6CYP2E1TSHRCYP3A4 | |
| SCHEMBL16472121 | 0.76 | ALOX5AP (0.39) | CYP2A6CYP2B6CYP2E1TSHRCYP3A4 | |
| SCHEMBL25013382 | 0.74 | CYP2E1 (0.32) | CYP2A6CYP2B6CYP2E1KMT2A | |
| SCHEMBL4985623 | 0.73 | TSHR (0.41) | CYP2A6TSHR | |
| SCHEMBL5720313 | 0.73 | TSHR (0.36) | TSHRKMT2ACYP3A4 | |
| SCHEMBL5527620 | 0.73 | TNKS (0.40) | CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105887127-A | Method for preparing chloromethyl pyridine derivative by electrochemical selective dechloridation | 浙江工业大学 | 2016-08-24 | — | — | CN | disclosed |
| EP-0700903-B1 | PROCESS FOR PRODUCING CYANOPYRIDINE | IHARA CHEMICAL IND CO (JP) | 1997-11-12 | — | — | EP | disclosed |
| US-5675012-A | REACTING AMMONIUM HALIDE WITH TRICHLOROMETHYLPYRIDINE IN PRESENCE OF A COPPER AND ZINC COMPOUND | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-10-07 | — | — | US | disclosed |
| EP-0700903-A1 | PROCESS FOR PRODUCING CYANOPYRIDINE | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-03-13 | — | — | EP | disclosed |
| US-5475112-A | Reducing a substituted trichloromethylpyridine derivative in presence of a proton donor and solvent | ISHIHARA SANGYO KAISHA LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0512436-A1 | Method for producing substituted pyridine derivatives | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1992-11-11 | — | — | EP | disclosed |