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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL428936 | 0.99 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4GAATSHR | |
| Iodide SCHEMBL1654971 | 0.79 | RAB9A (0.43) | ALDH1A1RAB9AMAPTPOLBMAPK1 | |
| SCHEMBL429435 | 0.78 | HSD17B10 (0.44) | ALDH1A1RAB9AKMT2AMAPTPOLB | |
| SCHEMBL30279254 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1TDP1CYP3A4GAATSHR | |
| SCHEMBL395055 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1TDP1CYP3A4GAATSHR | |
| SCHEMBL445669 | 0.70 | SMN1; SMN2 (0.45) | ALDH1A1TDP1CYP3A4TSHRRAB9A | |
| SCHEMBL2813683 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4GAATSHR | |
| SCHEMBL2013672 | 0.70 | GAA (0.43) | ALDH1A1TDP1CYP3A4GAATSHR | |
| SCHEMBL2814724 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4GAATSHR | |
| SCHEMBL1684443 | 0.70 | POLB (0.42) | ALDH1A1TDP1CYP3A4GAATSHR |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642624-B2 | Substituted alkylamine derivatives and methods of use | AMGEN INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-20130273004-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2013-10-17 | — | — | US | disclosed |
| EP-1537084-B1 | SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF | AMGEN INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-8247430-B2 | Substituted aryl-amine derivatives and methods of use | AMGEN INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20120065185-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-8058445-B2 | Substituted pyridinecarboxamides for the treatment of cancer | AMGEN INC. (US) | 2011-11-15 | — | — | US | disclosed |
| EP-2311829-A1 | Substituted alkylamine derivatives and methods of use | Amgen Inc. (US) | 2011-04-20 | — | — | EP | disclosed |
| US-7687643-B2 | Process for preparing 3,3-dimethylindolines | AMGEN INC. (US) | 2010-03-30 | — | — | US | disclosed |
| US-20090143355-A1 | Substituted aryl-amine derivatives and methods of use | AMGEN INC. (US) | 2009-06-04 | — | — | US | disclosed |
| US-7514564-B2 | Substituted amine derivatives and methods of use | AMGEN INC. (US) | 2009-04-07 | — | — | US | disclosed |
| WO-2004005279-A2 | SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2004-01-15 | — | — | WO | disclosed |
| US-20030225106-A1 | Substituted alkylamine derivatives and methods of use | AMGEN INC. | 2003-12-04 | — | — | US | disclosed |
| EP-1358184-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2003-11-05 | — | — | EP | disclosed |
| US-20030203922-A1 | Substituted amine derivatives and methods of use | AMGEN INC. | 2003-10-30 | — | — | US | disclosed |
| US-20030195230-A1 | Substituted amine derivatives and methods of use | AMGEN INC. | 2003-10-16 | — | — | US | disclosed |
| US-20030134836-A1 | Substituted arylamine derivatives and methods of use | AMGEN INC. | 2003-07-17 | — | — | US | disclosed |
| US-20030125339-A1 | Substituted alkylamine derivatives and methods of use | AMGEN INC. | 2003-07-03 | — | — | US | disclosed |
| US-20020147198-A1 | Substituted arylamine derivatives and methods of use | AMGEN INC. | 2002-10-10 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030225106-A1 | Substituted alkylamine derivatives and methods of use | NAT1, PIGO, AADAC | ALDH1A1 389/4885TDP1 639/4885CYP3A4 373/4885 |
| US-20030125339-A1 | Substituted alkylamine derivatives and methods of use | AADAC, NAT1, PIGO | ALDH1A1 261/4885TDP1 799/4885CYP3A4 207/4885 |
| US-20130273004-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AADAC, NAT1, PIGO | ALDH1A1 327/4885TDP1 843/4885CYP3A4 237/4885 |
| US-20030134836-A1 | Substituted arylamine derivatives and methods of use | NAT1, AADAC, AHR | ALDH1A1 178/4885TDP1 1883/4885CYP3A4 67/4885 |
| US-20030203922-A1 | Substituted amine derivatives and methods of use | MAOB, HNMT, FLT4 | ALDH1A1 192/4885TDP1 798/4885CYP3A4 385/4885 |
| US-20020147198-A1 | Substituted arylamine derivatives and methods of use | NAT1, AADAC, AHR | ALDH1A1 178/4885TDP1 1883/4885CYP3A4 67/4885 |
| US-20030195230-A1 | Substituted amine derivatives and methods of use | MAOB, HNMT, FLT4 | ALDH1A1 192/4885TDP1 798/4885CYP3A4 385/4885 |
| US-20120065185-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AADAC, NAT1, PIGO | ALDH1A1 327/4885TDP1 843/4885CYP3A4 237/4885 |
| US-20090143355-A1 | Substituted aryl-amine derivatives and methods of use | FLT1, FLT4, NAT1 | ALDH1A1 104/4885TDP1 1360/4885CYP3A4 182/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.