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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | F2 | P00734 | 6/20 | 0.41 |
| ▸ | F10 | P00742 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 5/20 | 0.36 |
| ▸ | TMPRSS15 | P98073 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
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 SCHEMBL7351413 | 0.92 | F2 (0.40) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7358205 | 0.92 | F2 (0.41) | ALDH1A1F2F10PRSS1TMPRSS15 | |
| Hydrochloric Acid SCHEMBL7357695 | 0.91 | ALDH1A1 (0.39) | ALDH1A1F2F10KDM4ENPC1 | |
| Iodide SCHEMBL7357888 | 0.89 | F2 (0.39) | ALDH1A1F2F10TDP1ITGB3 | |
| Hydrochloric Acid SCHEMBL7356265 | 0.89 | ALDH1A1 (0.40) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7355830 | 0.86 | ALDH1A1 (0.46) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7350491 | 0.85 | ALDH1A1 (0.45) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7354714 | 0.85 | ALDH1A1 (0.39) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7350935 | 0.84 | ALDH1A1 (0.42) | ALDH1A1F2F10KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL7354330 | 0.83 | ALDH1A1 (0.44) | ALDH1A1F2F10KDM4ENPC1 |
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 |