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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
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 SCHEMBL4440818 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TSHRVEGFAEPAS1 | |
| SCHEMBL2884549 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHRVEGFAEPAS1 | |
| SCHEMBL2878659 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL3033748 | 0.63 | EPAS1 (0.34) | EPAS1 | |
| SCHEMBL2880917 | 0.62 | TSHR (0.32) | TSHR | |
| SCHEMBL30644802 | 0.59 | ALDH1A1 (0.60) | ALDH1A1TSHRPTGER4 | |
| SCHEMBL25219685 | 0.58 | ALDH1A1 (0.44) | ALDH1A1TSHRPTGER4EPAS1 | |
| SCHEMBL30461454 | 0.58 | ALDH1A1 (0.44) | ALDH1A1TSHRPTGER4EPAS1 | |
| SCHEMBL25167005 | 0.58 | MAPT (0.48) | ALDH1A1TSHRPTGER4 | |
| SCHEMBL11217732 | 0.58 | ALDH1A1 (0.72) | ALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |