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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL48403 | 0.98 | CYP19A1 (0.50) | CYP19A1TSHRALDH1A1GAAMAPT | |
| SCHEMBL28163187 | 0.88 | GAA (0.54) | CYP19A1TSHRALDH1A1GAAMAPT | |
| SCHEMBL8081061 | 0.88 | ALDH1A1 (0.47) | CYP19A1TSHRALDH1A1GAAMAPT | |
| Benzophenone SCHEMBL28109342 | 0.83 | KMT2A (0.63) | CYP19A1ALDH1A1GAAMAPT | |
| SCHEMBL16866569 | 0.81 | POLB (0.54) | CYP19A1ALDH1A1MAPTPOLBRAB9A | |
| SCHEMBL9632286 | 0.80 | MAOB (0.53) | ALDH1A1MAPTPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL9630186 | 0.80 | MAOB (0.53) | ALDH1A1MAPTPOLBRAB9ASMN1; SMN2 | |
| SCHEMBL8403545 | 0.80 | POLB (0.61) | TSHRALDH1A1GAAPOLBHTT | |
| SCHEMBL4681053 | 0.78 | LOXL2 (0.46) | CYP19A1TSHRALDH1A1GAAMAPT | |
| SCHEMBL10750108 | 0.78 | CYP19A1 (0.52) | CYP19A1ALDH1A1GAAMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013034718-A1 | NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL | SANDOZ AG (CH) | 2013-03-14 | — | — | WO | disclosed |