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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 SCHEMBL27399872 | 0.86 | KCNN4 (0.56) | KCNN4ALDH1A1NPC1RAB9APARP1 | |
| Fluorobenzene SCHEMBL10885260 | 0.86 | KCNN4 (0.56) | KCNN4ALDH1A1NPC1RAB9APARP1 | |
| Fluorobenzene SCHEMBL28144868 | 0.85 | KCNN4 (0.48) | KCNN4ALDH1A1NPC1RAB9APARP1 | |
| Fluorobenzene SCHEMBL5865256 | 0.85 | KCNN4 (0.48) | KCNN4ALDH1A1NPC1RAB9APARP1 | |
| Fluorobenzene SCHEMBL27281600 | 0.85 | — | — | |
| Oxalic Acid SCHEMBL28200729 | 0.83 | CES2 (0.50) | KCNN4KDM4EALDH1A1NPC1RAB9A | |
| Fluorobenzene SCHEMBL27335596 | 0.82 | NFE2L2 (0.46) | KCNN4ALDH1A1TSHR | |
| Fluorobenzene SCHEMBL27310946 | 0.82 | NFE2L2 (0.46) | KCNN4ALDH1A1MAPTTSHRRECQL | |
| Fluorobenzene SCHEMBL28291780 | 0.81 | KCNN4 (0.52) | KCNN4ALDH1A1NPC1RAB9APARP1 | |
| Fluorobenzene SCHEMBL27634069 | 0.81 | CES2 (0.48) | KCNN4KDM4EALDH1A1NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |