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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667834 | 0.78 | CHRM1 (0.50) | GFERHSD17B10MTNR1AMTNR1BCNR1 | |
| Iodide SCHEMBL3127313 | 0.72 | MC4R (0.50) | — | |
| SCHEMBL13270728 | 0.70 | MC4R (0.51) | — | |
| SCHEMBL1746947 | 0.65 | ACACB (0.45) | GFERHSD17B10MTNR1AMTNR1B | |
| SCHEMBL4667819 | 0.62 | CHRM1 (0.47) | — | |
| SCHEMBL5107971 | 0.62 | MTNR1A (0.56) | GFERHSD17B10MTNR1AMTNR1BCNR1 | |
| SCHEMBL5988698 | 0.61 | MTNR1A (0.56) | GFERHSD17B10MTNR1AMTNR1B | |
| SCHEMBL19263974 | 0.61 | MTNR1A (0.58) | GFERHSD17B10MTNR1AMTNR1BCNR1 | |
| SCHEMBL3065098 | 0.61 | MTNR1A (0.58) | GFERHSD17B10MTNR1AMTNR1BCNR1 | |
| SCHEMBL9791708 | 0.61 | GFER (0.46) | GFERHSD17B10MTNR1AMTNR1BCNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1610789-A4 | BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO INC (US) | 2008-02-27 | — | — | EP | disclosed |
| EP-1610789-A1 | BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004087159-A1 | BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2004-10-14 | — | — | WO | disclosed |