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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.48 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31447339 | 0.97 | TSHR (0.52) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL5145658 | 0.95 | TSHR (0.50) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Fluoride Ion SCHEMBL18244889 | 0.92 | TSHR (0.48) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Iodide SCHEMBL187956 | 0.76 | DNM1 (0.75) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Acetonitrile SCHEMBL28136456 | 0.76 | DNM1 (0.62) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Cyanate SCHEMBL10909220 | 0.76 | DNM1 (0.57) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Thiocyanic Acid SCHEMBL31021419 | 0.76 | DNM1 (0.57) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL11236841 | 0.75 | TSHR (0.59) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| Bromide SCHEMBL7583935 | 0.74 | DNM1 (0.77) | TSHRDNM1BDKRB2ALDH1A1TDP1 | |
| SCHEMBL29496398 | 0.73 | DNM1 (0.80) | TSHRDNM1BDKRB2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109251172-B | Synthesis method of aripiprazole | 暨明医药科技（苏州）有限公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-2391212-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088167-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |