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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7290295 | 0.77 | — | — | |
| SCHEMBL7288669 | 0.76 | HTT (0.41) | HTTNPSR1MAPK1ALDH1A1POLB | |
| SCHEMBL7373118 | 0.76 | MAPK1 (0.39) | HTTNPSR1MAPK1ALDH1A1POLB | |
| Iodide SCHEMBL7289870 | 0.75 | TMIGD3 (0.32) | — | |
| SCHEMBL7296162 | 0.64 | MAPK1 (0.35) | HTTNPSR1MAPK1ALDH1A1POLB | |
| SCHEMBL566998 | 0.61 | MAPK1 (0.43) | HTTNPSR1MAPK1ALDH1A1POLB | |
| Iodide SCHEMBL9134607 | 0.61 | CYP26A1 (0.63) | ALDH1A1MAPT | |
| Iodide SCHEMBL9133365 | 0.59 | CYP19A1 (0.61) | — | |
| SCHEMBL10513879 | 0.59 | ALDH1A1 (0.43) | HTTNPSR1MAPK1ALDH1A1POLB | |
| SCHEMBL6100478 | 0.59 | HTR2C (0.47) | HTR2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0426018-B1 | Thiophene compounds and their pharmaceutical uses | YOSHITIOMI PHARMACEUTICAL IND (JP) | 1997-08-27 | — | — | EP | disclosed |
| EP-0729960-A1 | Thiophene compounds and their use as intermediates in the preparation of antianxiety drugs, hypnotics, antiepileptic drugs and nuotropics | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5329016-A | Antianxiety, hypnotic agents, antiepileptic agents or nootropics | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-07-12 | — | — | US | disclosed |
| US-5175162-A | Anxiolytic, antiepilepic agents | YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) | 1992-12-29 | — | — | US | disclosed |
| EP-0426018-A2 | Thiophene compounds and their pharmaceutical uses | YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1991-05-08 | — | — | EP | disclosed |