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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL524784 | 0.77 | POLB (0.45) | KMT2AMEN1POLBALDH1A1TDP1 | |
| SCHEMBL8094585 | 0.77 | TSHR (0.40) | KMT2AMEN1POLBALDH1A1CYP3A4 | |
| SCHEMBL1971894 | 0.76 | POLB (0.42) | KMT2AMEN1POLBALDH1A1TDP1 | |
| SCHEMBL28354351 | 0.75 | ALDH1A1 (0.44) | KMT2APOLBALDH1A1TDP1GAA | |
| SCHEMBL8087556 | 0.75 | ALDH1A1 (0.40) | KMT2AMEN1POLBALDH1A1ALOX15 | |
| SCHEMBL21961149 | 0.73 | TSHR (0.57) | KMT2AMEN1POLBALDH1A1TDP1 | |
| SCHEMBL1904536 | 0.73 | TSHR (0.57) | KMT2AMEN1POLBALDH1A1TDP1 | |
| SCHEMBL21409767 | 0.73 | POLB (0.42) | KMT2AMEN1POLBALDH1A1TDP1 | |
| SCHEMBL14974836 | 0.73 | MAPK1 (0.43) | KMT2AMEN1ALDH1A1TDP1GAA | |
| SCHEMBL133469 | 0.72 | ALDH1A1 (0.52) | KMT2AMEN1POLBALDH1A1TDP1 |
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-2008110941-A2 | NEW PROCESS OF SYNTHESIS OF A SQUALAMINE AND/OR TRODUSQUEMINE PRECURSOR | UNIVERSITE DE LA MEDITERRANEE (FR) | 2008-09-18 | — | — | WO | disclosed |