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 | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.84 |
| ▸ | CA2 | P00918 | 10/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.66 |
| ▸ | CA1 | P00915 | 7/20 | 0.66 |
| ▸ | CA9 | Q16790 | 6/20 | 0.66 |
| ▸ | CA12 | O43570 | 6/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL792636 | 0.98 | KIF11 (0.88) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL9492276 | 0.95 | KIF11 (0.84) | KIF11CA2PTGS2CA1CA9 | |
| Hydrochloric Acid SCHEMBL29970350 | 0.95 | KIF11 (0.84) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL29839201 | 0.86 | ALDH1A1 (0.70) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL20766416 | 0.86 | CA2 (0.71) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL18361651 | 0.83 | CA2 (0.67) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL6725682 | 0.83 | KIF11 (0.77) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL6726211 | 0.82 | KIF11 (0.74) | KIF11CA2PTGS2CA1CA9 | |
| Sulfanilamide SCHEMBL27780024 | 0.81 | KIF11 (0.62) | KIF11CA2PTGS2CA1CA9 | |
| SCHEMBL8651596 | 0.80 | PTGS2 (1.00) | KIF11CA2PTGS2CA1CA9 |
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-112645937-B | Aza spiro ring and polycyclic andrographolide compound, preparation method thereof, pharmaceutical composition and application thereof | 深圳湾实验室 | 2022-05-31 | — | — | CN | disclosed |
| CN-112645937-A | Aza spiro ring and polycyclic andrographolide compound, preparation method thereof, pharmaceutical composition and application thereof | 深圳湾实验室 | 2021-04-13 | — | — | CN | disclosed |