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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9865906 | 0.99 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTLMNAGAA | |
| Iodide SCHEMBL10445218 | 0.88 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTGAADRD2 | |
| SCHEMBL9602772 | 0.87 | MCHR1 (0.35) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL9866334 | 0.87 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTGAADRD2 | |
| SCHEMBL9602171 | 0.82 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTLMNAGAA | |
| Fumaric Acid SCHEMBL9867491 | 0.82 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTLMNAGAA | |
| Fumaric Acid SCHEMBL9867501 | 0.82 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTLMNAGAA | |
| Fumaric Acid SCHEMBL9602836 | 0.81 | ALDH1A1 (0.34) | ALDH1A1KDM4EMAPTLMNAGAA | |
| Fumaric Acid SCHEMBL9602842 | 0.81 | ALDH1A1 (0.34) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL10373269 | 0.81 | PTGS2 (0.40) | ALDH1A1KDM4EMAPTLMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0351435-B1 | FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1993-08-04 | — | — | EP | disclosed |
| EP-0351435-A1 | FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1990-01-24 | — | — | EP | disclosed |