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 | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.59 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.59 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 6/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.58 |
| ▸ | PTGIR | P43119 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL2646271 | 0.98 | PRSS1 (0.61) | PRSS1PRSS2PRSS3CA1CA2 | |
| Hydrochloric Acid SCHEMBL4397004 | 0.96 | PRSS1 (0.59) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL2849627 | 0.80 | MPO (0.39) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL194623 | 0.79 | CA1 (0.59) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL1545285 | 0.79 | PLK1 (0.59) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL6961256 | 0.77 | PRSS1 (0.65) | PRSS1PRSS2PRSS3PARP10ALDH1A1 | |
| SCHEMBL12332579 | 0.76 | PRSS1 (0.53) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL9874228 | 0.76 | NPC1 (0.61) | PRSS1PRSS2PRSS3ALDH1A1MAPT | |
| SCHEMBL29842339 | 0.76 | MAPT (0.66) | CA1CA2ALDH1A1MAPTCA12 | |
| SCHEMBL6955082 | 0.76 | PRSS1 (0.66) | PRSS1PRSS2PRSS3PARP1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4544759-A | Platinum complexes of antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1985-10-01 | — | — | US | disclosed |