Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.33 |
| ▸ | SCD | O00767 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8462050 | 0.85 | SLC6A2 (0.40) | SLC6A4HTR2AKCNH2NR3C1NR3C2 | |
| SCHEMBL8462016 | 0.84 | NOTUM (0.44) | SLC6A4HTR2AKCNH2ADRA1DNOTUM | |
| SCHEMBL15561456 | 0.81 | TP53 (0.38) | NOTUM | |
| SCHEMBL7928193 | 0.78 | KMT2A (0.41) | SLC6A4SLC6A2 | |
| SCHEMBL8463274 | 0.77 | — | — | |
| SCHEMBL8463761 | 0.74 | KDM1A (0.32) | — | |
| SCHEMBL7928216 | 0.73 | PPARG (0.41) | SLC6A4KCNH2SLC6A2 | |
| SCHEMBL8461786 | 0.72 | — | — | |
| SCHEMBL19227915 | 0.71 | TRPA1 (0.42) | — | |
| SCHEMBL524891 | 0.71 | MAPT (0.47) | SLC6A4HTR2AKCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981789-A | CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD | OCCIDENTAL CHEMICAL CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |
| US-4470930-A | Preparation of nuclear chlorinated aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |