Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.38 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.38 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7792045 | 0.99 | CYP1A1 (0.38) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Iodide SCHEMBL7794834 | 0.83 | MAPT (0.35) | CYP1A2CYP2C9CYP2C19CYP19A1PDE10A | |
| SCHEMBL8384152 | 0.82 | MAPT (0.35) | CYP1A2CYP2C9CYP2C19CYP19A1PDE10A | |
| Iodide SCHEMBL7792207 | 0.71 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7786417 | 0.70 | POLB (0.48) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Iodide SCHEMBL7786337 | 0.67 | CA1 (0.33) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7796136 | 0.67 | ALDH1A1 (0.49) | ALDH1A1HPGDHTTMEN1KMT2A | |
| SCHEMBL7794735 | 0.66 | KDM4E (0.37) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL7794718 | 0.65 | NPSR1 (0.36) | CYP19A1ADRA1DADRA1AADRA1BNPSR1 | |
| SCHEMBL7795671 | 0.63 | KEAP1 (0.47) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906268-B1 | ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS | AVENTIS PHARMA INC (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6004959-A | HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0906268-A1 | ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997045397-A1 | ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-04 | — | — | WO | disclosed |