Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Toliodium. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toliodium SCHEMBL125171 | 0.97 | ACHE (0.57) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL3284569 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL5408779 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL9296014 | 0.93 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL125044 | 0.88 | ACHE (0.47) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL125045 | 0.88 | ACHE (0.47) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL10022958 | 0.88 | ACHE (0.47) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL31513889 | 0.85 | ACHE (0.44) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL29443426 | 0.85 | ACHE (0.44) | ACHETDP1ALDH1A1CA2CA1 | |
| Toliodium SCHEMBL1134117 | 0.85 | ACHE (0.44) | ACHETDP1ALDH1A1CA2CA1 |
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-6419814-B1 | ELECTROLYSIS OF ARYLIODIDE COMPOUND | CORNELL DEVELOPMENT LLC | 2002-07-16 | — | — | US | disclosed |
| US-4594445-A | Producing ester or secondary amide | EASTMAN KODAK COMPANY (US) | 1986-06-10 | — | — | US | disclosed |
| EP-0165168-A2 | Carbonylation process for the production of aromatic acids and derivatives thereof | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1985-12-18 | — | — | EP | disclosed |