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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11026436 | 0.98 | CYP1A2 (0.50) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| Biphenyl SCHEMBL10826986 | 0.91 | CYP1A2 (0.62) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL27676479 | 0.90 | CYP1A2 (0.48) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL25183913 | 0.81 | CYP1A2 (0.38) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL9862848 | 0.80 | CYP1A2 (0.63) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL25576173 | 0.79 | CYP1A2 (0.41) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL30415853 | 0.79 | CYP1A2 (0.41) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| Trifluoromethanesulfonic Acid SCHEMBL8735178 | 0.79 | PTGS2 (0.45) | CYP1A2PTGS2PTGS1SLC6A4SLC6A3 | |
| SCHEMBL9807036 | 0.78 | ALDH1A1 (0.33) | CYP1A2PTGS2CYP2A6HSD17B10ALDH1A1 | |
| SCHEMBL6830189 | 0.78 | ALDH1A1 (0.47) | CYP1A2PTGS2CYP2A6NPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0902797-A1 | DURABLE, LOW SURFACE ENERGY COMPOUNDS AND ARTICLES, APPARATUSES, AND METHODS FOR USING THE SAME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-03-24 | — | — | EP | disclosed |
| WO-1997046598-A1 | DURABLE, LOW SURFACE ENERGY COMPOUNDS AND ARTICLES, APPARATUSES, AND METHODS FOR USING THE SAME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-12-11 | — | — | WO | disclosed |
| US-4401537-A | EPOXIDE, ONIUM CATALYST AND 3-GLYCIDOXYPROPYL/TRIETHOXYSILANE; CHEMICAL RESISTANCE; ADHESIVES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1983-08-30 | — | — | US | disclosed |
| US-4297401-A | COMPRISING A MIXTURE OF EPOXY-CONTAINING COMPOUND, AN ONIUM CATALYST, AND A SILANE ANCHORING AGENT; HERMETIC SEALING; SHELF LIFE | MINNESOTA MINING & MANUFACTURING COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4156046-A | POLYEPOXIDES, EPOXY-TERMINATED SILANES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1979-05-22 | — | — | US | disclosed |
| US-4101513-A | ONIUM CATALYSTS OF GROUP 5A, 6A OR 7A ATOMS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1978-07-18 | — | — | US | disclosed |