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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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 SCHEMBL7537909 | 0.87 | NOS3 (0.36) | ADRA2AADRA2BADRA2CNISCHHRH3 | |
| SCHEMBL8218198 | 0.83 | NISCH (0.40) | ADRA2AADRA2BADRA2CNISCH | |
| SCHEMBL7543472 | 0.81 | KDM4E (0.36) | ADRA2AADRA2BADRA2CNISCHHRH3 | |
| Hydrochloric Acid SCHEMBL8218663 | 0.81 | KDM4E (0.39) | ADRA2AADRA2BADRA2CNISCH | |
| Iodide SCHEMBL7536945 | 0.75 | POLB (0.40) | PTPN1HRH3 | |
| SCHEMBL7536889 | 0.73 | NISCH (0.36) | ADRA2AADRA2BADRA2CNISCH | |
| SCHEMBL7538424 | 0.69 | REN (0.33) | ADRA2ANISCH | |
| SCHEMBL8187790 | 0.66 | KDM4E (0.45) | ESR1ESR2MCHR1LTA4H | |
| Hydrochloric Acid SCHEMBL8207897 | 0.65 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CNISCH | |
| SCHEMBL7539966 | 0.64 | NISCH (0.59) | ADRA2AADRA2BADRA2CNISCH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1204644-A1 | SYNTHESIS OF SUBSTITUTED AMIDINES | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2000078725-A1 | SYNTHESIS OF SUBSTITUTED AMIDINES | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000078724-A2 | IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |