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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 SCHEMBL8697992 | 0.81 | CES2 (0.44) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL19333968 | 0.80 | CES2 (0.51) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL30402938 | 0.78 | CES2 (0.50) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL19334133 | 0.77 | CES2 (0.49) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL31561606 | 0.75 | POLB (0.51) | CES2CES1GAAALDH1A1POLB | |
| SCHEMBL8702566 | 0.75 | CES2 (0.47) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL30081009 | 0.75 | CES2 (0.58) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL888679 | 0.75 | CES2 (0.58) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL7685019 | 0.73 | CES2 (0.61) | CES2CES1GAAALDH1A1ALOX15 | |
| SCHEMBL5224837 | 0.73 | CES2 (0.56) | CES2CES1GAAALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998003478-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |
| WO-1998003479-A1 | NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-01-29 | — | — | WO | disclosed |