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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | COL1A1 | P02452 | 1/20 | 0.36 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747150 | 0.80 | KDM4E (0.47) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747185 | 0.76 | KDM4E (0.48) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747094 | 0.69 | CHRNA7 (0.50) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747102 | 0.67 | KDM4E (0.47) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747091 | 0.67 | KDM4E (0.51) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL8747147 | 0.67 | PKM (0.46) | CHRNA7HTR2AHTR2C | |
| SCHEMBL9621181 | 0.66 | MAOA (0.57) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL9620526 | 0.66 | MAOA (0.57) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL11147426 | 0.66 | MAOA (0.61) | CHRNA7HTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL5713217 | 0.66 | MAOA (0.61) | CHRNA7HTR2AHTR2CHTR2BHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |