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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 4/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | F9 | P00740 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 SCHEMBL7956640 | 0.83 | F10 (0.44) | F10PRSS1F2ALDH1A1HPGD | |
| SCHEMBL6982167 | 0.82 | F10 (0.44) | F10PRSS1F2ALDH1A1HPGD | |
| SCHEMBL6985022 | 0.81 | NR3C1 (0.40) | PARP1F10F2F7ALDH1A1 | |
| SCHEMBL6978677 | 0.79 | NR3C1 (0.40) | PARP1F10F2ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6979253 | 0.79 | ALOX5 (0.42) | PARP1F10F2ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6985379 | 0.79 | ALDH1A1 (0.42) | F10PRSS1F2ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL6985449 | 0.79 | NR3C1 (0.40) | PARP1F10F2ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL7407416 | 0.78 | F2 (0.37) | PARP1F10PRSS1F2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6982622 | 0.78 | NR3C1 (0.38) | PARP1F10PRSS1F2F7 | |
| Hydrochloric Acid SCHEMBL6977752 | 0.78 | F2 (0.49) | F10PRSS1F2PRSS2PRSS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |