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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL7539245 | 0.80 | CHKA (0.58) | TSHRCHKAPRSS1PRSS2PRSS3 | |
| Iodide SCHEMBL7548535 | 0.79 | ESR1 (0.65) | CA2LTA4HESR1ESR2TDP1 | |
| SCHEMBL41775 | 0.76 | TSHR (0.67) | TSHRCHKAPRSS1PRSS2PRSS3 | |
| SCHEMBL40703 | 0.75 | CA2 (0.65) | TSHRCHKAPRSS1PRSS2PRSS3 | |
| SCHEMBL25301605 | 0.75 | TSHR (0.50) | TSHRCHKAPRSS1PRSS2PRSS3 | |
| Iodide SCHEMBL7545274 | 0.74 | TAAR1 (0.54) | TAAR1L3MBTL1 | |
| Iodide SCHEMBL7551853 | 0.72 | ALDH1A1 (0.52) | TSHRCA2CA1TDP1ALDH1A1 | |
| SCHEMBL1366942 | 0.72 | ALDH1A1 (0.52) | TSHRCHKAPRSS1PRSS2PRSS3 | |
| SCHEMBL3904348 | 0.70 | TSHR (0.78) | TSHRCHKACA2LTA4HCA1 | |
| SCHEMBL7546992 | 0.70 | ALDH1A1 (0.50) | TSHRCHKAPRSS1PRSS2PRSS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6482990-B1 | Prostaglandin E analogues | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2002-11-19 | — | — | US | disclosed |
| EP-1211241-A1 | PROSTAGLANDIN E ANALOGUES | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2002-06-05 | — | — | EP | disclosed |