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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL266061 | 0.97 | — | — | |
| Bromide SCHEMBL6738890 | 0.94 | ALDH1A1 (0.38) | ALDH1A1LMNAHTTSMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL5316443 | 0.94 | ALDH1A1 (0.34) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| Iodide SCHEMBL4435737 | 0.75 | ALDH1A1 (0.32) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL5176797 | 0.71 | ALDH1A1 (0.38) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL98364 | 0.71 | — | — | |
| SCHEMBL30272404 | 0.69 | ALDH1A1 (0.32) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3908734 | 0.69 | ALDH1A1 (0.32) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL17335765 | 0.69 | ALDH1A1 (0.36) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL9317644 | 0.67 | LMNA (0.36) | LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0862432-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997009043-A9 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | — | 1997-09-18 | — | — | WO | disclosed |
| WO-1997009043-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1997-03-13 | — | — | WO | disclosed |