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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.44 |
| ▸ | KDM6B | O15054 | 3/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9212944 | 0.99 | DHFR (0.45) | DHFRKDM6BSMPD3GRM2MAPT | |
| SCHEMBL5742735 | 0.76 | MAPT (0.64) | DHFRMAPTGFERALDH1A1KDM4E | |
| Iodide SCHEMBL9213397 | 0.76 | HCN1 (0.41) | DHFRKDM6BSMPD3MAPTALDH1A1 | |
| SCHEMBL9211794 | 0.74 | HCN1 (0.42) | DHFRKDM6BSMPD3MAPTALDH1A1 | |
| SCHEMBL5743990 | 0.73 | DHFR (0.53) | DHFRKDM6BSMPD3MAPTGFER | |
| Hydrochloric Acid SCHEMBL5743802 | 0.72 | DHFR (0.52) | DHFRKDM6BSMPD3MAPTGFER | |
| SCHEMBL31646673 | 0.71 | ALDH1A1 (0.46) | DHFRKDM6BGRM2MAPTGFER | |
| Bromide SCHEMBL9381955 | 0.71 | GRIN2D (0.61) | HRH4 | |
| SCHEMBL22616984 | 0.70 | HRH3 (0.66) | DHFRKDM6BSMPD3CCNT1HRH4 | |
| SCHEMBL24851277 | 0.69 | GBA1 (0.58) | KMT2A |
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-0434341-B1 | Diazine derivatives | ZENECA LTD (GB) | 1995-05-17 | — | — | EP | disclosed |
| US-5252567-A | Cardiovascular disorders, sino-atrial node effects | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| EP-0434341-A1 | Diazine derivatives | ZENECA LIMITED (GB) | 1991-06-26 | — | — | EP | disclosed |