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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| SCHEMBL7300823 | 0.85 | CYP2C9 (0.74) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Iodide SCHEMBL7439816 | 0.77 | CYP2C9 (0.55) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7260342 | 0.75 | HTR4 (0.64) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7292069 | 0.74 | CYP2C9 (0.78) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL2940596 | 0.74 | CYP2C9 (0.94) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL29385613 | 0.74 | CYP2C9 (0.94) | CYP2C9PMP22NPSR1MEN1LMNA | |
| SCHEMBL7302574 | 0.73 | CYP2C9 (0.95) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Hydrochloric Acid SCHEMBL7295175 | 0.73 | CYP2C9 (0.92) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Hydrochloric Acid SCHEMBL9344902 | 0.72 | MEN1 (0.53) | CYP2C9PMP22NPSR1MEN1LMNA | |
| Maleic Acid SCHEMBL7302318 | 0.70 | CYP2C9 (0.86) | CYP2C9PMP22NPSR1MEN1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | claimed |
| WO-1992014727-A1 | 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES | GLAXO GROUP LIMITED (GB) | 1992-09-03 | — | — | WO | claimed |
| EP-0501322-A1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LIMITED (GB) | 1992-09-02 | — | — | EP | claimed |
| EP-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | disclosed |
| WO-1992014727-A1 | 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES | GLAXO GROUP LIMITED (GB) | 1992-09-03 | — | — | WO | disclosed |
| EP-0501322-A1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |