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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.56 |
| ▸ | NOS3 | P29474 | 3/20 | 0.55 |
| ▸ | NOS2 | P35228 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL9038718 | 0.99 | NOS1 (0.57) | NOS1NOS3NOS2HDAC1HDAC2 | |
| Iodide SCHEMBL4397802 | 0.88 | CNR1 (0.55) | NOS1NOS3NOS2HDAC1HDAC2 | |
| Iodide SCHEMBL4397806 | 0.88 | CNR1 (0.55) | NOS1NOS3NOS2HDAC1HDAC2 | |
| SCHEMBL4409778 | 0.87 | CNR1 (0.56) | NOS1NOS3NOS2HDAC1HDAC2 | |
| SCHEMBL4409780 | 0.87 | CNR1 (0.56) | NOS1NOS3NOS2HDAC1HDAC2 | |
| SCHEMBL7081205 | 0.84 | NOS1 (0.66) | NOS1NOS3NOS2NPC1RAB9A | |
| SCHEMBL6957505 | 0.84 | NPC1 (0.60) | NOS1NOS3NOS2NPC1RAB9A | |
| SCHEMBL6969350 | 0.83 | NOS1 (0.63) | NOS1NOS3NOS2CA1CA2 | |
| SCHEMBL6958481 | 0.82 | NOS1 (0.62) | NOS1NOS3NOS2NPC1RAB9A | |
| SCHEMBL6962660 | 0.82 | NOS1 (0.59) | NOS1NOS3NOS2HDAC1HDAC2 |
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-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 |
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |