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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 3/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL744402 | 0.98 | SLC6A4 (0.47) | SLC6A4IDO1SLC6A2ACACBSLC6A3 | |
| SCHEMBL16979030 | 0.80 | SLC6A4 (0.49) | SLC6A4IDO1SLC6A2SLC6A3FPR2 | |
| SCHEMBL11248115 | 0.78 | SLC6A4 (0.47) | SLC6A4IDO1SLC6A2SLC6A3FPR2 | |
| SCHEMBL4598274 | 0.78 | SLC6A4 (0.47) | SLC6A4IDO1SLC6A2FPR2PROKR1 | |
| SCHEMBL19144912 | 0.78 | IDO1 (0.64) | SLC6A4IDO1SLC6A2SLC6A3FPR2 | |
| SCHEMBL3137822 | 0.76 | EPHX1 (0.53) | SLC6A4IDO1SLC6A2FPR2PROKR1 | |
| SCHEMBL18253202 | 0.76 | SLC6A4 (0.45) | SLC6A4IDO1SLC6A2FPR2PROKR1 | |
| SCHEMBL6347241 | 0.74 | SLC6A4 (0.43) | SLC6A4IDO1SLC6A2SLC6A3FPR2 | |
| SCHEMBL4644770 | 0.70 | SLC6A4 (0.44) | SLC6A4IDO1SLC6A2SLC6A3FPR2 | |
| SCHEMBL12066334 | 0.69 | IDO1 (0.68) | SLC6A4IDO1SLC6A2SLC6A3FPR2 |
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-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |