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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 20/20 | 1.00 |
| ▸ | NOS3 | P29474 | 18/20 | 1.00 |
| ▸ | NOS2 | P35228 | 18/20 | 1.00 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387463 | 0.98 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| Iodide SCHEMBL11683524 | 0.85 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL1387776 | 0.84 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL21067846 | 0.84 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| Bromide SCHEMBL11804676 | 0.82 | NOS1 (0.96) | NOS1NOS3NOS2 | |
| SCHEMBL1387701 | 0.81 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL7787974 | 0.81 | NOS3 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL1387760 | 0.76 | NOS3 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL1387538 | 0.75 | NOS1 (1.00) | NOS1NOS3NOS2 | |
| SCHEMBL7788121 | 0.75 | NOS1 (1.00) | NOS1NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20010034342-A1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | OPLINGER JEFFREY ALAN (US) | 2001-10-25 | — | — | US | disclosed |
| US-6225305-B1 | Substituted urea and isothiorea derivatives as no synthase inhibitors | GLAXO WELLCOME INC. | 2001-05-01 | — | — | US | disclosed |
| US-6090846-A | ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA | GLAXO WELLCOME INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0723438-A1 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995009619-A2 | SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-04-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010034342-A1 | Substituted urea and isothiourea derivatives as no synthase inhibitors | NOS1, NOS2, SLC14A1 | NOS1 1/4885NOS3 4/4885NOS2 2/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.