Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fluorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 9/20 | 0.43 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR1F | P30939 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | SCD | O00767 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27513191 | 0.96 | DRD2 (0.46) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL28742038 | 0.91 | HTR2A (0.43) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27494006 | 0.87 | DRD2 (0.46) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Oxalic Acid SCHEMBL5871700 | 0.85 | HTR2A (0.49) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27494806 | 0.82 | DRD2 (0.53) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27525830 | 0.80 | SLC6A4 (0.41) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27514225 | 0.80 | HTR1A (0.44) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27494805 | 0.79 | DRD2 (0.50) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| Fluorobenzene SCHEMBL27514212 | 0.79 | DRD2 (0.50) | HTR2AHTR7KCNH2HTR1AHTR1D | |
| SCHEMBL5871375 | 0.79 | HTR2A (0.53) | HTR2AHTR7KCNH2HTR1AHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| CN-1204121-C | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2005-06-01 | — | — | CN | disclosed |
| CN-1253547-A | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2000-05-17 | — | — | CN | disclosed |