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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 17/20 | 0.65 |
| ▸ | F2 | P00734 | 4/20 | 0.58 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.48 |
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 SCHEMBL6432760 | 0.93 | F10 (0.66) | F10F2CCR2CNR1 | |
| Iodide SCHEMBL6433189 | 0.90 | F10 (0.64) | F10F2CCR2CNR1 | |
| Bromide SCHEMBL6437108 | 0.90 | F10 (0.56) | F10F2CCR2CNR1 | |
| Bromide SCHEMBL6433169 | 0.89 | F10 (0.68) | F10F2CCR2CNR1 | |
| Bromide SCHEMBL6434471 | 0.88 | F10 (0.68) | F10F2CCR2CNR1 | |
| SCHEMBL6438708 | 0.87 | F10 (0.66) | F10F2CCR2CNR1 | |
| SCHEMBL6434800 | 0.86 | CCR2 (0.53) | F10F2CCR2CNR1 | |
| Iodide SCHEMBL6434334 | 0.83 | F10 (0.63) | F10F2 | |
| Acetic Acid SCHEMBL6433311 | 0.80 | F10 (0.90) | F10F2 | |
| Acetic Acid SCHEMBL6433309 | 0.79 | F10 (0.87) | F10F2 |
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-1042287-B1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | AVENTIS PHARMA GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-6337344-B1 | ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-08 | — | — | US | disclosed |
| EP-1042287-A1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | Aventis Pharma Deutschland GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033800-A1 | INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-07-08 | — | — | WO | disclosed |