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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9423965 | 0.76 | KMT2A (0.49) | KMT2AALDH1A1LMNAMEN1TP53 | |
| SCHEMBL11170791 | 0.70 | FABP4 (0.33) | KMT2AALDH1A1LMNAMEN1TP53 | |
| SCHEMBL24769833 | 0.68 | POLB (0.55) | KMT2AALDH1A1LMNAPOLBSMN1; SMN2 | |
| Iodide SCHEMBL11164966 | 0.68 | NPC1 (0.52) | KMT2AALDH1A1LMNAMEN1POLB | |
| Iodide SCHEMBL11158929 | 0.67 | SMN1; SMN2 (0.47) | KMT2AALDH1A1LMNAMEN1L3MBTL1 | |
| Iodide SCHEMBL11174263 | 0.67 | KMT2A (0.50) | KMT2AALDH1A1LMNAMEN1POLB | |
| SCHEMBL11173049 | 0.67 | POLB (0.43) | KMT2AALDH1A1LMNAMEN1TP53 | |
| Iodide SCHEMBL5898525 | 0.67 | MAPT (0.37) | KMT2AALDH1A1LMNAMEN1POLB | |
| Iodide SCHEMBL9312138 | 0.67 | ALDH1A1 (0.48) | KMT2AALDH1A1LMNAMEN1POLB | |
| Iodide SCHEMBL11164129 | 0.66 | LMNA (0.44) | KMT2AALDH1A1LMNAMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5373008-A | Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents | THE BOOTS COMPANT PLC. (GB) | 1994-12-13 | — | — | US | disclosed |
| US-5223498-A | Hypoglycemic agents | THE BOOTS COMPANY PLC (GB) | 1993-06-29 | — | — | US | disclosed |
| EP-0385038-B1 | ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | The Boots Company PLC (GB) | 1993-06-02 | — | — | EP | disclosed |
| EP-0385038-A1 | Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them | The Boots Company PLC (GB) | 1990-09-05 | — | — | EP | disclosed |