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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31151007 | 0.98 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL1454663 | 0.98 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL31150950 | 0.98 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL1345820 | 0.98 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL1132337 | 0.98 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL28934782 | 0.95 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL14120766 | 0.95 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL30268799 | 0.95 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL5846481 | 0.84 | MAOA (0.46) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL14395925 | 0.79 | CYP2D6 (0.54) | CYP3A4CYP2D6CYP1A2NFKB1PNMT |
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-113991026-A | Perovskite photoelectric device interface modification method based on halogenated phenylalkylamine molecules | 清华大学 | 2022-01-28 | — | — | CN | claimed |
| CN-113991026-A | Perovskite photoelectric device interface modification method based on halogenated phenylalkylamine molecules | 清华大学 | 2022-01-28 | — | — | CN | disclosed |