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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 16/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL634200 | 0.98 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL28293731 | 0.96 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Iodide SCHEMBL10324529 | 0.92 | TBXAS1 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8591843 | 0.92 | TBXAS1 (0.44) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27953432 | 0.91 | QPCT (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9625860 | 0.90 | TBXAS1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9625581 | 0.90 | TBXAS1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2945045 | 0.90 | TBXAS1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL16321117 | 0.90 | TBXAS1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19286072 | 0.90 | TBXAS1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884422-B | Process for producing acetic acid | 利安德巴塞尔乙酰基有限责任公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104884422-A | Process for producing acetic acid | LYONDELL CHEMICAL TECH LP | 2015-09-02 | — | — | CN | disclosed |