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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | TOP2A | P11388 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.49 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10910840 | 0.89 | KDM4E (0.53) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9678335 | 0.88 | KDM4E (0.66) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL22579210 | 0.86 | KDM4E (0.72) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL4629781 | 0.85 | KDM4E (0.63) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL3134064 | 0.83 | KDM4E (0.98) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL28061283 | 0.82 | KDM4E (0.89) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL11112093 | 0.82 | KDM4E (0.63) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL28201587 | 0.82 | KDM4E (0.96) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL4459712 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL2900 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1LMNAHPGDHSD17B10 |
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-5077429-A | 7-AMINO-1-CYCLOPROPYL-4-OXO-1,4-DIHYDRO-QUINOLINE- AND NAPHTHYRIDINE-3-CARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THESE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| US-4670444-A | 7-amino-1-cyclopropyl-4-oxo-1, 4-dihydro-quinoline-and naphthyridine-3-carboxylic acids and antibacterial agents containing these compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-02 | — | — | US | disclosed |
| US-4620007-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-10-28 | — | — | US | disclosed |