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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
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 SCHEMBL9306858 | 0.89 | TSHR (0.49) | TSHRRECQLKDM4E | |
| Iodide SCHEMBL9307113 | 0.88 | TSHR (0.43) | TSHRRECQLKDM4ENPC1RAB9A | |
| Iodide SCHEMBL9307722 | 0.88 | SMN1; SMN2 (0.46) | TSHRRECQLCYP1A2CYP2C19MTNR1A | |
| Iodide SCHEMBL9308445 | 0.88 | PLA2G4B (0.46) | — | |
| Iodide SCHEMBL9307826 | 0.88 | ALDH1A1 (0.43) | TSHRRECQLNPC1RAB9AMTNR1A | |
| Iodide SCHEMBL9307320 | 0.88 | PLA2G4B (0.46) | — | |
| Iodide SCHEMBL9307597 | 0.88 | ALDH1A1 (0.43) | TSHRRECQLNPC1RAB9AMTNR1A | |
| Iodide SCHEMBL9307765 | 0.87 | TSHR (0.42) | TSHRRECQLMTNR1A | |
| Iodide SCHEMBL9306732 | 0.84 | CTSD (0.45) | KMT2A | |
| Iodide SCHEMBL9306780 | 0.81 | PLA2G4B (0.45) | MTNR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5328921-A | Antagonist of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| US-5208247-A | Antianaphylactic agents or septic shock | AMERICAN CYANAMID COMPANY (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0530444-A1 | Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor | AMERICAN CYANAMID COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |