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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.55 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.49 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 11/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743239 | 0.97 | ACHE (0.58) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL9127008 | 0.94 | DRD2 (0.60) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL4572542 | 0.92 | DRD2 (0.60) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL31596990 | 0.92 | DRD2 (0.58) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL8254760 | 0.92 | DRD2 (0.64) | DRD2TDP1SIGMAR1MEN1GAA | |
| SCHEMBL4024516 | 0.89 | DRD2 (0.56) | DRD2ACHEBACE1TDP1MEN1 | |
| SCHEMBL18851206 | 0.88 | DRD2 (0.56) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL13609474 | 0.88 | DRD2 (0.60) | DRD2TDP1SIGMAR1MEN1GAA | |
| SCHEMBL25129104 | 0.87 | DRD2 (0.55) | DRD2ACHEBACE1TDP1SIGMAR1 | |
| SCHEMBL7220892 | 0.87 | DRD2 (0.55) | DRD2ACHEBACE1TDP1MEN1 |
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-2806873-A1 | AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS | AiCuris GmbH & Co. KG (DE) | 2014-12-03 | — | — | EP | disclosed |
| WO-2013110643-A1 | AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS | AICURIS GMBH & CO. KG (DE) | 2013-08-01 | — | — | WO | disclosed |