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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.49 |
| ▸ | TACR2 | P21452 | 3/20 | 0.48 |
| ▸ | TACR3 | P29371 | 3/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8991925 | 0.99 | TACR1 (0.50) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL19440990 | 0.99 | TACR1 (0.50) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL15678895 | 0.89 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8991959 | 0.84 | TACR1 (0.63) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL22901986 | 0.84 | TACR1 (0.63) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL8840357 | 0.84 | TACR1 (0.62) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8991942 | 0.82 | TACR1 (0.53) | TACR1TACR2TACR3 | |
| Water SCHEMBL8840295 | 0.81 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8992082 | 0.79 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL8840285 | 0.79 | TACR1 (0.51) | TACR1TACR2TACR3CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5656639-A | POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS | SANOFI (FR) | 1997-08-12 | — | — | US | disclosed |