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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7373918 | 0.99 | KMT2A (0.39) | KMT2AAKR1B1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL1067696 | 0.74 | AKR1B1 (0.42) | KMT2AAKR1B1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL30523452 | 0.74 | AKR1B1 (0.42) | KMT2AAKR1B1SMN1; SMN2ALDH1A1HPGD | |
| Iodide SCHEMBL397423 | 0.74 | FOLH1 (0.44) | KMT2AALDH1A1HPGDPOLBMEN1 | |
| Hydrochloric Acid SCHEMBL1067694 | 0.73 | ALDH1A1 (0.42) | KMT2AAKR1B1SMN1; SMN2ALDH1A1HPGD | |
| Iodide SCHEMBL401190 | 0.72 | HDAC1 (0.46) | KMT2AALDH1A1POLBMEN1KDM4E | |
| SCHEMBL6169888 | 0.72 | FOLH1 (0.45) | KMT2AALDH1A1HPGDPOLBMEN1 | |
| Iodide SCHEMBL8214551 | 0.71 | BRS3 (0.40) | KMT2ASMN1; SMN2ALDH1A1MEN1KDM4E | |
| SCHEMBL6174032 | 0.71 | HDAC1 (0.47) | KMT2AALDH1A1POLBMEN1KDM4E | |
| SCHEMBL11855764 | 0.71 | CASP1 (0.43) | KMT2AAKR1B1ALDH1A1MEN1NOS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4839358-A | ANALGESICS, ANTIDEPRESSANTS, ANTIANXIETY AGENTS | ROUSSEL UCLAF (FR) | 1989-06-13 | — | — | US | disclosed |