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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.67 |
| ▸ | FAAH | O00519 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 9/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7595982 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL8353969 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL277526 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL8359972 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL277384 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL4620374 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL529785 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL11963130 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL57043 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 | |
| SCHEMBL75573 | 0.97 | CA2 (0.70) | CA2FAAHCA1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105237808-B | Intercalation composite material and preparation method thereof, polymer nanocomposites | 中国科学院长春应用化学研究所 | 2018-06-01 | — | — | CN | disclosed |
| CN-105237808-A | Intercalated composite material, preparation method thereof, and polymer nano-composite material | CHANGCHUN APPLIED CHEMISTRY | 2016-01-13 | — | — | CN | disclosed |