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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.41 |
| ▸ | CASP2 | P42575 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6543354 | 0.98 | EPHX1 (0.46) | EPHX1SPHK1CASP2ALDH1A1TSHR | |
| Iodide SCHEMBL10423707 | 0.93 | EPHX1 (0.40) | EPHX1SPHK1 | |
| SCHEMBL11844558 | 0.91 | — | — | |
| Iodide SCHEMBL11683597 | 0.84 | — | — | |
| SCHEMBL8244841 | 0.81 | — | — | |
| SCHEMBL11675322 | 0.77 | EPHX1 (0.60) | EPHX1ALDH1A1 | |
| SCHEMBL11499934 | 0.76 | EPHX1 (0.46) | EPHX1CASP2ALDH1A1TSHRNAAA | |
| Iodide SCHEMBL11683759 | 0.74 | EPHX1 (0.39) | EPHX1TSHR | |
| Iodide SCHEMBL1179447 | 0.74 | — | — | |
| SCHEMBL88539 | 0.74 | EPHX1 (0.54) | EPHX1SPHK1CASP2ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4109014-A | VASOCONSTRICTORS | ARMOUR PHARMACEUTICAL COMPANY (US) | 1978-08-22 | — | — | US | disclosed |
| US-4060554-A | VASOCONSTRICTORS | ARMOUR PHARMACEUTICAL COMPANY (US) | 1977-11-29 | — | — | US | disclosed |
| US-4014934-A | VASOCONSTRICTORS | ARMOUR PHARMACEUTICAL COMPANY (US) | 1977-03-29 | — | — | US | disclosed |
| US-3976787-A | VASOCONSTRICTION | ARMOUR PHARMACEUTICAL COMPANY (US) | 1976-08-24 | — | — | US | disclosed |