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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2865209 | 0.98 | NPC1 (0.37) | NPC1RAB9ACYP1A2L3MBTL1 | |
| SCHEMBL8780686 | 0.98 | NPC1 (0.37) | NPC1RAB9ACYP1A2L3MBTL1 | |
| Iodide SCHEMBL8780654 | 0.95 | NPC1 (0.36) | NPC1RAB9ACYP1A2L3MBTL1 | |
| Fluoride Ion SCHEMBL30330044 | 0.95 | NPC1 (0.36) | NPC1RAB9ACYP1A2L3MBTL1 | |
| Bromide SCHEMBL8780655 | 0.95 | NPC1 (0.39) | NPC1RAB9ACYP1A2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL30212685 | 0.95 | NPC1 (0.36) | NPC1RAB9ACYP1A2L3MBTL1 | |
| Iodide SCHEMBL8953834 | 0.95 | CYP1A2 (0.32) | NPC1RAB9ACYP1A2 | |
| SCHEMBL29107030 | 0.95 | NPC1 (0.34) | NPC1RAB9A | |
| SCHEMBL898139 | 0.95 | NPC1 (0.34) | NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL15361479 | 0.93 | NPC1 (0.33) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0628585-B1 | Advancement catalyst containing epoxy resin compositions | CIBA GEIGY (CH) | 1997-06-04 | — | — | EP | claimed |
| US-5521261-A | PERHYDROAZEPINIUM OR OCTAHYDROAZOCINIUM SALT FOR CHAIN EXTENSION | CIBA-GEIGY CORPORATION (US) | 1996-05-28 | — | — | US | claimed |
| US-5521261-A | PERHYDROAZEPINIUM OR OCTAHYDROAZOCINIUM SALT FOR CHAIN EXTENSION | CIBA-GEIGY CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |