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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.33 |
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 SCHEMBL5956032 | 0.85 | PABPC1 (0.53) | PABPC1ALDH1A1KDM4EKMT2AMEN1 | |
| Iodide SCHEMBL3396751 | 0.78 | ALDH1A1 (0.49) | PABPC1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL12257970 | 0.76 | ALDH1A1 (0.50) | PABPC1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL9323548 | 0.75 | AHR (0.46) | AHRKDM4ECES1RAB9ADAGLA | |
| SCHEMBL28719014 | 0.75 | GSK3B (0.46) | AHRKDM4ECES1DAGLAALOX15 | |
| Bromide SCHEMBL7770315 | 0.75 | ALDH1A1 (0.49) | PABPC1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL1244495 | 0.74 | KDM4E (0.61) | AHRKDM4ECES1KMT2AALOX15 | |
| SCHEMBL17064418 | 0.71 | AHR (0.40) | AHRCES1DAGLA | |
| SCHEMBL31067700 | 0.71 | AHR (0.40) | AHRCES1DAGLA | |
| Pyridine SCHEMBL8597415 | 0.71 | AHR (0.40) | AHRALDH1A1KDM4ECES1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248870-B1 | OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. | NYCOMED IMAGING AS (NO) | 2001-06-19 | — | — | US | disclosed |
| US-5817774-A | Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods | STERLING WINTHROP INCORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| US-5760191-A | Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods | NYCOMED IMAGING AS (NO) | 1998-06-02 | — | — | US | disclosed |
| US-5559214-A | Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods | STERLING WINTHROP INC. (US) | 1996-09-24 | — | — | US | disclosed |
| US-5539117-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | GE HEALTHCARE AS (NO) | 1996-07-23 | — | — | US | disclosed |
| US-5350696-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | STERLING WINTHROP, INC. (US) | 1994-09-27 | — | — | US | disclosed |