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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL833937 | 0.97 | — | — | |
| Bromide SCHEMBL164660 | 0.94 | TSHR (0.47) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL1445738 | 0.74 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Bromide SCHEMBL1446266 | 0.74 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL6178163 | 0.72 | — | — | |
| SCHEMBL1005644 | 0.72 | — | — | |
| SCHEMBL7483367 | 0.72 | ALDH1A1 (0.48) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.67 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.67 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.67 | TSHR (1.00) | TSHRLMNAALDH1A1CYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800520-A1 | PROCESS FOR THE PREPARATION OF LAMOTRIGINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020934-A1 | PROCESS FOR THE PREPARATION OF LAMOTRIGINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-11 | — | — | WO | disclosed |