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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL12219 | 0.98 | — | — | |
| SCHEMBL12268 | 0.98 | — | — | |
| SCHEMBL12212 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1372283 | 0.95 | CA1 (0.43) | CA1CA9SMN1; SMN2LMNATSHR | |
| Hydrochloric Acid SCHEMBL1372279 | 0.95 | CA1 (0.43) | CA1CA9SMN1; SMN2LMNATSHR | |
| SCHEMBL9846779 | 0.84 | CA1 (0.37) | CA1CA9SMN1; SMN2LMNATSHR | |
| SCHEMBL18302606 | 0.84 | CA1 (0.37) | CA1CA9SMN1; SMN2LMNATSHR | |
| SCHEMBL5884221 | 0.83 | LMNA (0.41) | LMNATSHRCYP1A2PMP22NFKB1 | |
| SCHEMBL14249431 | 0.83 | POLB (0.39) | CA1CA9SMN1; SMN2LMNATSHR | |
| SCHEMBL27920507 | 0.81 | CA1 (0.46) | CA1CA9LMNATSHRCYP1A2 |
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-0266182-A2 | Gamma-lactonecarboxylic acid derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1988-05-04 | — | — | EP | disclosed |