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 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1387773 | 0.98 | ALDH1A1 (0.46) | ALDH1A1NPSR1HDAC3HDAC4HDAC1 | |
| Bromide SCHEMBL11804669 | 0.96 | ALDH1A1 (0.45) | ALDH1A1NPSR1HDAC3HDAC4HDAC1 | |
| Iodide SCHEMBL7787919 | 0.85 | HPGD (0.52) | ALDH1A1NPSR1SMN1; SMN2KMT2AGAA | |
| SCHEMBL1387462 | 0.83 | HPGD (0.54) | ALDH1A1NPSR1SMN1; SMN2KMT2AGAA | |
| SCHEMBL7788119 | 0.81 | MAPT (0.44) | ALDH1A1CYP2C19RECQLHSD17B10KMT2A | |
| SCHEMBL1387536 | 0.81 | POLB (0.47) | ALDH1A1NOS3NOS1NOS2 | |
| Iodide SCHEMBL1286893 | 0.79 | HSD17B10 (0.46) | ALDH1A1SMN1; SMN2TAS2R38NAPRTHSD17B10 | |
| SCHEMBL1387416 | 0.79 | RAB9A (0.45) | ALDH1A1SMN1; SMN2HSD17B10NOS3NOS1 | |
| SCHEMBL7982053 | 0.79 | HDAC3 (0.46) | ALDH1A1NPSR1HDAC3HDAC4HDAC1 | |
| SCHEMBL1387586 | 0.79 | NOS1 (0.46) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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-20040116490-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-06-17 | — | — | US | disclosed |
| EP-1381360-A1 | COMPOUNDS AND METHODS FOR INHIBITING METAP2 IN MAMMALS | SmithKline Beecham Corporation (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002078697-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-10 | — | — | WO | disclosed |
| US-4056527-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |