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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 9/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.76 |
| ▸ | RAB9A | P51151 | 7/20 | 0.76 |
| ▸ | NPC1 | O15118 | 5/20 | 0.76 |
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.62 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8572023 | 0.99 | MEN1 (0.78) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL6958482 | 0.94 | MEN1 (0.71) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL9037285 | 0.89 | KCNK3 (0.80) | MEN1KMT2ARAB9ANPC1MAPT | |
| Oxalic Acid SCHEMBL6956900 | 0.87 | KCNK3 (0.76) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL9037874 | 0.86 | NPC1 (0.80) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL11887623 | 0.86 | MEN1 (1.00) | MEN1KMT2ARAB9ANPC1MAPT | |
| Oxalic Acid SCHEMBL6961678 | 0.85 | NPC1 (0.73) | MEN1KMT2ARAB9ANPC1MAPT | |
| Iodide SCHEMBL6957865 | 0.84 | NPC1 (0.58) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL7081200 | 0.84 | NPC1 (0.56) | MEN1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL6280367 | 0.83 | RAB9A (0.53) | MEN1KMT2ARAB9ANPC1MAPT |
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-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |