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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8218198 | 0.78 | NISCH (0.40) | KDM4E | |
| SCHEMBL7543472 | 0.76 | KDM4E (0.36) | HRH3KDM4E | |
| Hydrochloric Acid SCHEMBL8218663 | 0.76 | KDM4E (0.39) | KDM4E | |
| SCHEMBL21795447 | 0.68 | MEN1 (0.53) | POLBTSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL1656060 | 0.67 | CYP2D6 (0.47) | TSHRHRH3KDM4EALDH1A1MAPK1 | |
| SCHEMBL28770531 | 0.67 | HRH3 (0.53) | TSHRHRH3MAOBKDM4ECYP2D6 | |
| SCHEMBL21772279 | 0.67 | POLB (0.53) | POLBTSHRKDM4EALDH1A1GAA | |
| SCHEMBL8187822 | 0.66 | POLB (0.48) | POLBKDM4EALDH1A1GAA | |
| SCHEMBL7094017 | 0.65 | SYK (0.52) | POLBTSHRKDM4EALDH1A1GAA | |
| SCHEMBL21709874 | 0.65 | POLB (0.50) | POLBTSHRMAOBKDM4EALDH1A1 |
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 |