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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CCR1 | P32246 | 3/20 | 0.38 |
| ▸ | CCR5 | P51681 | 3/20 | 0.38 |
| ▸ | CCR8 | P51685 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
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 SCHEMBL6763889 | 0.95 | CCR1 (0.38) | LMNACCR1CCR5CCR8MAPT | |
| SCHEMBL6763514 | 0.71 | OPRM1 (0.31) | TRPM8OPRM1 | |
| SCHEMBL6763511 | 0.71 | OPRM1 (0.31) | TRPM8OPRM1 | |
| Menthol SCHEMBL12613853 | 0.70 | LMNA (0.52) | LMNACCR1CCR5CCR8MAPT | |
| SCHEMBL12786221 | 0.67 | LMNA (0.41) | LMNACCR1CCR5CCR8MAPT | |
| SCHEMBL22022748 | 0.66 | KMT2A (0.48) | LMNAMAPTSMN1; SMN2TSHRKDM4E | |
| SCHEMBL10700915 | 0.65 | KCNA5 (0.50) | LMNAALDH1A1KCNA5TRPM8OPRM1 | |
| SCHEMBL6764789 | 0.65 | LMNA (0.53) | LMNACCR1CCR5CCR8MAPT | |
| SCHEMBL3639819 | 0.64 | KCNA5 (0.53) | LMNACYP2D6ALDH1A1MEN1KMT2A | |
| Phenanthroline SCHEMBL2355221 | 0.64 | CCR1 (0.94) | LMNACCR1CCR5CCR8MAPT |
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-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |