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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL426376 | 0.97 | TSHR (0.53) | TSHRCYP1A2LMNACYP2A6CES2 | |
| Hydrochloric Acid SCHEMBL11777482 | 0.95 | TSHR (0.50) | TSHRCYP1A2LMNACYP2A6CES2 | |
| SCHEMBL5421594 | 0.88 | CYP1A2 (0.48) | TSHRCYP1A2LMNACYP2A6CES2 | |
| SCHEMBL147327 | 0.86 | LMNA (0.57) | TSHRCYP1A2LMNACYP2A6CES2 | |
| Bromide SCHEMBL11745160 | 0.83 | LMNA (0.53) | TSHRCYP1A2LMNACYP2A6CES2 | |
| Iodide SCHEMBL29644490 | 0.83 | LMNA (0.53) | TSHRCYP1A2LMNACYP2A6CES2 | |
| Hydrochloric Acid SCHEMBL1717049 | 0.83 | LMNA (0.53) | TSHRCYP1A2LMNACYP2A6CES2 | |
| SCHEMBL12762155 | 0.83 | ALDH1A1 (0.38) | TSHRCYP1A2LMNACYP2A6KDM1A | |
| Iodide SCHEMBL106599 | 0.83 | ALDH1A1 (0.38) | TSHRCYP1A2LMNACYP2A6KDM1A | |
| SCHEMBL36560 | 0.80 | ALDH1A1 (0.40) | TSHRCYP1A2LMNACYP2A6KDM1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6231929-B1 | APPLYING LIQUID TO SUBSTRATE | 3M INNOVATIVE PROPERTIES COMPANY | 2001-05-15 | — | — | US | disclosed |
| EP-0902797-B1 | DURABLE, LOW SURFACE ENERGY COMPOUNDS AND ARTICLES, APPARATUSES, AND METHODS FOR USING THE SAME | MINNESOTA MINING & MFG (US) | 2000-11-15 | — | — | EP | disclosed |
| US-5998549-A | REDUCE SURFACE STREAKING | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| 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 |