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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9555520 | 0.99 | ALDH1A1 (0.40) | ALDH1A1KMT2AMEN1RECQLL3MBTL1 | |
| SCHEMBL9424584 | 0.86 | KMT2A (0.41) | ALDH1A1KMT2AMEN1L3MBTL1EPHX2 | |
| Iodide SCHEMBL9423963 | 0.83 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1RECQLL3MBTL1 | |
| SCHEMBL9424727 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1RECQLL3MBTL1 | |
| Iodide SCHEMBL9423985 | 0.78 | L3MBTL1 (0.54) | KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2 | |
| SCHEMBL9424751 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1L3MBTL1EPHX2 | |
| Iodide SCHEMBL9424005 | 0.77 | NPSR1 (0.56) | ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2 | |
| SCHEMBL9059848 | 0.75 | LMNA (0.44) | ALDH1A1KMT2AMEN1RECQLL3MBTL1 | |
| SCHEMBL9059942 | 0.67 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1L3MBTL1EPHX2 | |
| Iodide SCHEMBL9423859 | 0.67 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1RECQLL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5373008-A | Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents | THE BOOTS COMPANT PLC. (GB) | 1994-12-13 | — | — | 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 |