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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7792207 | 0.96 | CYP1A1 (0.36) | CA1CA2CA7CA9RPS6KA2 | |
| Iodide SCHEMBL8592387 | 0.87 | APP (0.32) | NPSR1 | |
| Iodide SCHEMBL7794833 | 0.81 | NPSR1 (0.36) | CTSDBACE1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL7794735 | 0.78 | KDM4E (0.37) | CA1CA2CA7CA9RPS6KA2 | |
| Iodide SCHEMBL8592388 | 0.68 | PDE4A (0.32) | CYP3A4ALDH1A1HPGD | |
| SCHEMBL7796074 | 0.68 | SHMT2 (0.35) | ALDH1A1NPSR1 | |
| SCHEMBL7796136 | 0.68 | ALDH1A1 (0.49) | CA1CA2CA7CA9MCL1 | |
| SCHEMBL7792045 | 0.67 | CYP1A1 (0.38) | TSHRHTTCYP1A1CYP1A2CYP2E1 | |
| Iodide SCHEMBL7792211 | 0.67 | CYP1A1 (0.38) | TSHRHTTCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL7786417 | 0.65 | POLB (0.48) | MCL1HTTCYP1A1CYP1A2CYP2E1 |
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 |