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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9424500 | 1.00 | NPC1 (0.48) | NPC1RAB9AALDH1A1MAPK1L3MBTL1 | |
| Iodide SCHEMBL9424668 | 0.85 | SMN1; SMN2 (0.57) | ALDH1A1L3MBTL1TSHRNPSR1HPGD | |
| Iodide SCHEMBL9424670 | 0.85 | SMN1; SMN2 (0.57) | ALDH1A1L3MBTL1TSHRNPSR1HPGD | |
| Iodide SCHEMBL9060574 | 0.76 | SCN9A (0.44) | NPC1RAB9AALDH1A1KDM4ETSHR | |
| Iodide SCHEMBL9060578 | 0.76 | SCN9A (0.44) | NPC1RAB9AALDH1A1KDM4ETSHR | |
| SCHEMBL9424612 | 0.74 | L3MBTL1 (0.57) | NPC1RAB9AALDH1A1MAPK1L3MBTL1 | |
| Iodide SCHEMBL9424035 | 0.74 | SMN1; SMN2 (0.53) | ALDH1A1L3MBTL1TSHRPOLBNPSR1 | |
| Iodide SCHEMBL9424032 | 0.74 | SMN1; SMN2 (0.53) | ALDH1A1L3MBTL1TSHRPOLBNPSR1 | |
| SCHEMBL9424126 | 0.72 | SMN1; SMN2 (0.54) | ALDH1A1L3MBTL1TSHRPOLBNPSR1 | |
| Iodide SCHEMBL9424036 | 0.72 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1POLBNPSR1HPGD |
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 |