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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9132621 | 0.83 | CYP19A1 (0.42) | CYP19A1PARP1PARP10METAP1CYP26A1 | |
| Iodide SCHEMBL9133365 | 0.81 | CYP19A1 (0.61) | CYP19A1METAP1CYP26A1 | |
| Iodide SCHEMBL9133212 | 0.80 | CYP19A1 (0.54) | CYP19A1METAP1HTR1AHTR2C | |
| Iodide SCHEMBL9133376 | 0.79 | DRD2 (0.50) | CYP19A1HTR1ADRD2HTR2A | |
| SCHEMBL11728368 | 0.79 | METAP1 (0.60) | METAP1 | |
| Iodide SCHEMBL8534944 | 0.78 | CYP26A1 (0.39) | CYP19A1CYP26A1 | |
| Iodide SCHEMBL9134607 | 0.78 | CYP26A1 (0.63) | CYP19A1CYP26A1MAOB | |
| SCHEMBL9431751 | 0.77 | F7 (0.42) | CYP19A1F7PARP1F3PARP10 | |
| SCHEMBL10662181 | 0.76 | DGAT1 (0.51) | CYP19A1F7PARP1F3PARP10 | |
| SCHEMBL9431709 | 0.76 | CYP19A1 (0.44) | CYP19A1F7PARP1F3PARP10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5405872-A | Anti-hypertensive tetralins | BURROUGHS WELLCOME CO. (US) | 1995-04-11 | — | — | US | disclosed |
| WO-1992005143-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | disclosed |