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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL4453992 | 0.98 | CTSK (0.58) | CTSKCTSS | |
| SCHEMBL4450246 | 0.78 | CTSK (0.55) | CTSKCTSS | |
| SCHEMBL4442260 | 0.72 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL4451597 | 0.71 | CTSK (0.75) | CTSKCTSS | |
| SCHEMBL4444529 | 0.70 | CTSK (0.67) | CTSKCTSS | |
| SCHEMBL5796281 | 0.70 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL7219012 | 0.70 | CTSK (0.51) | CTSKCTSS | |
| SCHEMBL4444488 | 0.69 | CTSK (1.00) | CTSKCTSS | |
| SCHEMBL20197293 | 0.68 | NOS3 (0.41) | CTSKCTSS | |
| SCHEMBL4447810 | 0.68 | CTSK (0.73) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |