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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | STAT3 | P40763 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312326 | 0.99 | ALDH1A1 (0.49) | ALDH1A1LMNACHRM3ABL1ABCB1 | |
| Iodide SCHEMBL11158929 | 0.85 | SMN1; SMN2 (0.47) | ALDH1A1LMNAKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL9311556 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1LMNAKMT2ASMN1; SMN2MEN1 | |
| Iodide SCHEMBL11171136 | 0.82 | L3MBTL1 (0.47) | ALDH1A1LMNACHRM3KMT2ANPC1 | |
| SCHEMBL9059661 | 0.78 | ALDH1A1 (0.49) | ALDH1A1LMNACHRM3ABL1ABCB1 | |
| SCHEMBL11173049 | 0.78 | POLB (0.43) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| Iodide SCHEMBL10827472 | 0.76 | NPC1 (0.55) | ALDH1A1LMNAKMT2ANPC1RAB9A | |
| SCHEMBL5105915 | 0.76 | ALDH1A1 (0.56) | ALDH1A1LMNACHRM3KMT2ANPC1 | |
| SCHEMBL17206122 | 0.76 | HSP90AA1 (0.59) | ALDH1A1LMNACHRM3ABL1ABCB1 | |
| SCHEMBL9311129 | 0.75 | ALDH1A1 (0.58) | ALDH1A1LMNACHRM3ABL1ABCB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536151-B1 | ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | BOOTS CO PLC (GB) | 1994-09-14 | — | — | EP | disclosed |
| US-5302720-A | Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents | THE BOOTS COMPANY (GB) | 1994-04-12 | — | — | US | disclosed |
| EP-0536151-A1 | ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. | BOOTS CO PLC (GB) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992000273-A1 | ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | THE BOOTS COMPANY PLC (GB) | 1992-01-09 | — | — | WO | disclosed |