Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 SCHEMBL28789208 | 0.90 | TSHR (0.48) | KCNN4SLC6A4SLC6A3TSHRRAB9A | |
| Fluorobenzene SCHEMBL27509339 | 0.88 | NQO2 (0.49) | KCNN4TSHRNQO2RAB9APKM | |
| Fluorobenzene SCHEMBL28070684 | 0.83 | KCNN4 (0.50) | KCNN4TSHRRAB9APKMNPC1 | |
| Fluorobenzene SCHEMBL27792558 | 0.82 | ALDH1A1 (0.47) | TSHRKDM4EALDH1A1GAAF2 | |
| Fluorobenzene SCHEMBL28291780 | 0.81 | KCNN4 (0.52) | KCNN4TSHRRAB9APKMNPC1 | |
| Bromobenzene SCHEMBL27498928 | 0.81 | ALDH1A1 (0.42) | KCNN4SLC6A3TSHRNQO2RAB9A | |
| Anisole SCHEMBL28777733 | 0.81 | CA4 (0.54) | NQO2RAB9APKMNPC1KDM4E | |
| Acetic Acid Methyl Ester SCHEMBL27704693 | 0.79 | CYP3A4 (0.44) | KCNN4TSHRNQO2PKMALDH1A1 | |
| Fluorobenzene SCHEMBL27477450 | 0.78 | NOX1 (0.41) | KCNN4TSHRALDH1A1GAA | |
| Fluorobenzene SCHEMBL10885260 | 0.76 | KCNN4 (0.56) | KCNN4TSHRRAB9APKMNPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1279026-C | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2006-10-11 | — | — | CN | disclosed |
| CN-1257905-C | Compounds for inhibiting the release of inflammatory cytokines | PROCTER & GAMBLE (US) | 2006-05-31 | — | — | CN | disclosed |
| CN-1249066-C | 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines | PROCTER & GAMBLE (US) | 2006-04-05 | — | — | CN | disclosed |
| CN-1642600-A | 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines | PROCTER & GAMBLE (US) | 2005-07-20 | — | — | CN | disclosed |
| CN-1556811-A | 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines | — | 2004-12-22 | — | — | CN | disclosed |
| CN-1555375-A | compounds that inhibit inflammatory cytokine release | — | 2004-12-15 | — | — | CN | disclosed |
| CN-1342149-A | Prostaglandin endoperoxide H synthase biosynthesis inhibitors | ABBOTT LAB (US) | 2002-03-27 | — | — | CN | disclosed |