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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.67 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 13/20 | 1.00 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.67 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.67 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | EGFR | P00533 | 1/20 | 0.67 |
| ▸ | GBA1 | P04062 | 1/20 | 0.67 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL23671979 | 0.99 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL21496962 | 0.99 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL9452012 | 0.90 | ESR1 (0.84) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL4752564 | 0.89 | ESR1 (0.82) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL4752565 | 0.89 | ESR1 (0.82) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL6947496 | 0.87 | ESR1 (0.79) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL6948715 | 0.87 | ESR1 (0.79) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL6946928 | 0.85 | ESR1 (0.82) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL16579225 | 0.85 | CYP19A1 (0.78) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL84895 | 0.85 | CYP19A1 (0.78) | ESR1CYP19A1CYP3A4ESR2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-116348455-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 卡里科生命科学有限责任公司 | 2023-06-27 | — | — | CN | disclosed |