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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FDPS | P14324 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843220 | 0.85 | — | — | |
| SCHEMBL3614475 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| SCHEMBL276302 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| SCHEMBL3623090 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| SCHEMBL7062722 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| Iodide SCHEMBL27770252 | 0.74 | LMNA (0.52) | TSHRTHRBSPHK1LMNAGPR84 | |
| SCHEMBL3614541 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| SCHEMBL3619910 | 0.74 | OPRM1 (0.50) | OPRM1TSHRTHRBSPHK1LMNA | |
| Hexadecane SCHEMBL23000686 | 0.73 | OPRM1 (0.55) | OPRM1TSHRTHRBSPHK1LMNA | |
| SCHEMBL22950680 | 0.73 | OPRM1 (0.55) | OPRM1TSHRTHRBSPHK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1976821-B1 | DIRECT ALKYLATION OF N-ALKYL-N'-PHENYL-P-PHENYLENEDIAMINE | CHEMTURA CORP (US) | 2011-05-25 | — | — | EP | claimed |