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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 11/20 | 0.47 |
| ▸ | NOS3 | P29474 | 7/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
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 SCHEMBL6961838 | 0.91 | NOS1 (0.48) | NOS1NOS3NOS2 | |
| SCHEMBL9038935 | 0.90 | NOS1 (0.49) | NOS1NOS3NOS2 | |
| SCHEMBL6961022 | 0.88 | NOS3 (0.51) | NOS1NOS3NOS2 | |
| SCHEMBL6965844 | 0.85 | USP2 (0.55) | NOS1NOS3NOS2TSHRSMN1; SMN2 | |
| Iodide SCHEMBL7076168 | 0.83 | NOS1 (0.55) | NOS1NOS3NOS2SMN1; SMN2 | |
| SCHEMBL9047216 | 0.82 | NOS1 (0.56) | NOS1NOS3NOS2TSHRSMN1; SMN2 | |
| Iodide SCHEMBL6961661 | 0.78 | NPC1 (0.52) | TSHRSMN1; SMN2FKBP1A | |
| SCHEMBL8392996 | 0.78 | ALDH1A1 (0.49) | NOS1NOS3FKBP1A | |
| SCHEMBL6965446 | 0.77 | NOS1 (0.61) | NOS1NOS3NOS2TSHRSMN1; SMN2 | |
| SCHEMBL6964818 | 0.76 | HPGD (0.54) | NOS1NOS3NOS2SMN1; SMN2 |
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-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |