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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HRH2 | P25021 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7604054 | 0.98 | POLB (0.57) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL23987984 | 0.80 | CXCR4 (0.52) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL7304959 | 0.79 | POLB (0.42) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| Hydrochloric Acid SCHEMBL7311470 | 0.78 | POLB (0.41) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL20366241 | 0.76 | MEN1 (0.41) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL22128496 | 0.76 | MEN1 (0.41) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL24764732 | 0.76 | MEN1 (0.41) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL14142189 | 0.73 | MEN1 (0.45) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL92631 | 0.72 | CXCR4 (0.45) | POLBSMN1; SMN2HRH2HRH1HRH3 | |
| SCHEMBL1546711 | 0.72 | POLB (0.76) | POLBSMN1; SMN2HRH2HRH1HRH3 |
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-6255487-B1 | PREPARING 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPER-AZINYL)ETHOXY)ACETIC ACID VIA REACTING SUBSTITUTED (2-((1-PIPERAZINYL)ETHOXY)METHYL COMPOUND WITH A DIPHENYLMETHYL HALIDE, THEN HYDROLYZING IN ALCOHOLIC MEDIUM WITH ACID/BASE | UCB, S.A. (BE) | 2001-07-03 | — | — | US | disclosed |
| US-6140501-A | CHEMICAL INTERMEDIATES | UCB, S.A. (BE) | 2000-10-31 | — | — | US | disclosed |