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 | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 9/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7381526 | 0.92 | F2 (0.62) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| SCHEMBL7353216 | 0.92 | F2 (0.58) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| SCHEMBL7351436 | 0.89 | F2 (0.44) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| Hydrochloric Acid SCHEMBL7352296 | 0.89 | F2 (0.68) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| Iodide SCHEMBL7357519 | 0.87 | F2 (0.55) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| SCHEMBL7356550 | 0.86 | F2 (0.47) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| Hydrochloric Acid SCHEMBL7360424 | 0.85 | F2 (0.55) | F2ALDH1A1PTPN2PTPN1STAT3 | |
| Hydrochloric Acid SCHEMBL7357099 | 0.84 | F2 (0.66) | F2ALDH1A1SMN1; SMN2PTPN2PTPN1 | |
| Hydrochloric Acid SCHEMBL7354210 | 0.83 | F2 (0.53) | F2ALDH1A1SMN1; SMN2PRSS1F10 | |
| Iodide SCHEMBL7350707 | 0.83 | F2 (0.57) | F2SMN1; SMN2F10GAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |