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 | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5261202 | 0.98 | KCNJ1 (0.45) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| Iodide SCHEMBL5262198 | 0.94 | KCNJ1 (0.44) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL7008328 | 0.81 | KMT2A (0.55) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL11024329 | 0.79 | ESR1 (0.69) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL4437809 | 0.79 | POLB (0.58) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL13294115 | 0.76 | ALDH1A1 (0.58) | KMT2AMEN1LOXL2ALDH1A1SMN1; SMN2 | |
| SCHEMBL5715396 | 0.73 | LOXL2 (0.55) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL28290869 | 0.71 | LOXL2 (0.48) | KCNJ1KCNH2KMT2AMEN1LOXL2 | |
| SCHEMBL14269722 | 0.71 | PABPC1 (0.46) | KCNH2KMT2AMEN1LOXL2ESR1 | |
| SCHEMBL2325845 | 0.71 | LMNA (0.53) | KCNJ1KCNH2KMT2AMEN1LOXL2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773817-A1 | SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1638954-A1 | FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS | AMGEN INC. (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2006012374-A1 | SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2006-02-02 | — | — | WO | disclosed |
| EP-1583744-A2 | SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1562933-A2 | SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS | Amgen Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1537084-A1 | SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF | Amgen Inc. (US) | 2005-06-08 | — | — | EP | disclosed |
| EP-1519921-A2 | SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1467721-A2 | SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS | Amgen Inc. (US) | 2004-10-20 | — | — | EP | disclosed |
| WO-2004085425-A1 | FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS | AMGEN INC (US) | 2004-10-07 | — | — | WO | disclosed |
| WO-2004007458-A1 | SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF | AMGEN INC. (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007457-A2 | SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007481-A2 | SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS | AMGEN INC. (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004005279-A2 | SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2004-01-15 | — | — | WO | disclosed |
| EP-1358184-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002068406-A2 | SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS | AMGEN INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| WO-2002066470-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2002-08-29 | — | — | WO | disclosed |