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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 7/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.60 |
| ▸ | BRD4 | O60885 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.45 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15179016 | 0.79 | CYP11B1 (0.76) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| SCHEMBL30523908 | 0.79 | CYP11B1 (0.76) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| SCHEMBL30523909 | 0.79 | CYP11B1 (0.76) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| SCHEMBL21841982 | 0.77 | CYP11B1 (0.59) | CYP11B1CYP11B2BRD4POLBMAPT | |
| SCHEMBL4925205 | 0.76 | CYP11B1 (0.69) | CYP11B1CYP11B2BRD4POLBMAPT | |
| SCHEMBL1806633 | 0.75 | CYP11B1 (1.00) | CYP11B1CYP11B2BRD4POLBMAPT | |
| SCHEMBL17450431 | 0.74 | CYP11B1 (0.70) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| Iodide SCHEMBL28192688 | 0.73 | CYP11B1 (0.97) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| SCHEMBL15147960 | 0.72 | CYP11B1 (0.60) | CYP11B1CYP11B2POLBMAPTCYP19A1 | |
| SCHEMBL2729164 | 0.72 | CYP11B1 (1.00) | CYP11B1CYP11B2BRD4POLBMAPT |
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-2274314-B1 | METALLOCARBENE COMPLEX PEROXIDE ACTIVATORS | ARKEMA INC (US) | 2013-07-17 | — | — | EP | disclosed |
| US-8414793-B2 | Metallocarbene complex peroxide activators | ARKEMA INC. (US) | 2013-04-09 | — | — | US | disclosed |
| US-20110147654-A1 | METALLOCARBENE COMPLEX PEROXIDE ACTIVATORS | ARKEMA INC. (US) | 2011-06-23 | — | — | US | disclosed |