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 | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | SCN4A | P35499 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4672537 | 0.97 | HRH1 (0.68) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| SCHEMBL4672036 | 0.97 | HRH1 (0.68) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| SCHEMBL4679643 | 0.97 | HRH1 (0.68) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| Hydrochloric Acid SCHEMBL28096115 | 0.95 | HRH1 (0.65) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| Hydrochloric Acid SCHEMBL11078856 | 0.95 | HRH1 (0.65) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| Bromide SCHEMBL28853590 | 0.95 | HRH1 (0.65) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| SCHEMBL2784864 | 0.87 | DPP4 (0.55) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| SCHEMBL2781356 | 0.87 | DPP4 (0.55) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| SCHEMBL2781359 | 0.87 | DPP4 (0.55) | HRH1HTR2ATAAR1SCN4ADPP4 | |
| Iodide SCHEMBL28187143 | 0.87 | HRH1 (0.57) | HRH1HTR2ATAAR1SCN4A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428709-A | Cation direct dye | 巴斯夫欧洲公司 | 2017-12-01 | — | — | CN | disclosed |