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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1968423 | 0.98 | CA12 (0.55) | CA12CA1CA2CA9LMNA | |
| Bromide SCHEMBL7614615 | 0.97 | CA12 (0.54) | CA12CA1CA2CA9LMNA | |
| SCHEMBL28739371 | 0.88 | NPC1 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL28569685 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL11636179 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9LMNA | |
| SCHEMBL2056927 | 0.84 | KMT2A (0.47) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL25015371 | 0.84 | LMNA (0.51) | CA12CA1CA2CA9LMNA | |
| SCHEMBL15947013 | 0.84 | LMNA (0.48) | CA12CA1CA2CA9LMNA | |
| Toluene SCHEMBL28212958 | 0.83 | LMNA (0.52) | CA12CA1CA2CA9LMNA | |
| SCHEMBL1339677 | 0.82 | LMNA (0.48) | CA12CA1CA2CA9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20020065229-A1 | Anti-S-phase tubulin ligands | CYTOSKELETON INC. | 2002-05-30 | — | — | US | claimed |
| US-7259278-B2 | Anti-S-phase tubulin ligands | CYTOSKELETON INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-20020065229-A1 | Anti-S-phase tubulin ligands | CYTOSKELETON INC. | 2002-05-30 | — | — | US | disclosed |