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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.32 |
| ▸ | VEGFA | P15692 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2884549 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TSHREPAS1VEGFAMEN1 | |
| Iodide SCHEMBL4440824 | 0.80 | ALDH1A1 (0.31) | ALDH1A1TSHREPAS1VEGFA | |
| SCHEMBL2880917 | 0.74 | TSHR (0.32) | TSHRCYP3A4 | |
| SCHEMBL2943368 | 0.73 | MEN1 (0.38) | ALDH1A1TSHREPAS1VEGFAMEN1 | |
| SCHEMBL2878659 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRMEN1KMT2APDE7A | |
| SCHEMBL4786052 | 0.70 | MEN1 (0.36) | ALDH1A1TSHREPAS1VEGFAMEN1 | |
| SCHEMBL3033748 | 0.65 | EPAS1 (0.34) | EPAS1 | |
| SCHEMBL22326087 | 0.65 | PDE7A (0.42) | ALDH1A1MEN1KMT2APDE7AHTT | |
| SCHEMBL15774527 | 0.64 | HTT (0.46) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL22325952 | 0.64 | EPAS1 (0.46) | ALDH1A1EPAS1MEN1KMT2APDE7A |
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 |