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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27692288 | 0.98 | RAB9A (0.54) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| Iodide SCHEMBL1286893 | 0.79 | HSD17B10 (0.46) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL10042020 | 0.77 | ALDH1A1 (0.60) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL7403710 | 0.77 | HSD17B10 (0.48) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL27003089 | 0.77 | RAB9A (0.68) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL27673527 | 0.76 | NPC1 (0.61) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| Iodide SCHEMBL11163470 | 0.76 | HPGD (0.56) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL24198544 | 0.76 | MEN1 (0.47) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL9425234 | 0.75 | HSD17B10 (0.46) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| Iodide SCHEMBL11158017 | 0.74 | MITF (0.51) | RAB9ANPC1MAPTALDH1A1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012047630-A2 | N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE | TEINTZE MARTIN (US) | 2012-04-12 | — | — | WO | disclosed |