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 | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 7/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
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 SCHEMBL7469544 | 0.91 | LMNA (0.37) | HTTLMNAAPOBEC3AAPOBEC3G | |
| Iodide SCHEMBL4455366 | 0.90 | NOD1 (0.38) | HTTLMNAAPOBEC3AAPOBEC3GPTGDR2 | |
| SCHEMBL7468725 | 0.88 | HTT (0.38) | MAT2APRMT5CYP3A4HTTUSP2 | |
| Iodide SCHEMBL7467982 | 0.85 | PPARG (0.39) | PTGDR2MAPK8 | |
| SCHEMBL7457272 | 0.84 | NOD1 (0.37) | MAT2APRMT5CYP3A4HTTUSP2 | |
| SCHEMBL7468036 | 0.83 | NOD1 (0.39) | MAT2APRMT5CYP3A4HTTLMNA | |
| Iodide SCHEMBL7464172 | 0.81 | GAA (0.35) | — | |
| SCHEMBL7460791 | 0.81 | TP53 (0.39) | MAT2APRMT5CYP3A4HTTNPSR1 | |
| Bromide SCHEMBL7469454 | 0.80 | PSEN1 (0.38) | HTTLMNAPTGDR2 | |
| SCHEMBL7465809 | 0.80 | AKR1C3 (0.36) | MAT2APTGDR2MAPK8 |
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-0795548-B1 | QUINAZOLINE DERIVATIVES AND USE THEREOF | SUNTORY LTD (JP) | 2002-07-03 | — | — | EP | disclosed |
| US-5814631-A | CHYMASE INHIBITOR, CARDIVASCULAR | SUNTORY LIMITED (JP) | 1998-09-29 | — | — | US | disclosed |
| EP-0795548-A1 | QUINAZOLINE DERIVATIVES AND USE THEREOF | SUNTORY LIMITED (JP) | 1997-09-17 | — | — | EP | disclosed |