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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 6/20 | 0.41 |
| ▸ | HTR3B | O95264 | 6/20 | 0.41 |
| ▸ | HTR3A | P46098 | 6/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 6/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 6/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11875974 | 0.81 | HTR3E (0.61) | NOS1CA12ALDH1A1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3129474 | 0.79 | HTR3E (0.59) | NOS1CA12ALDH1A1CA2CA9 | |
| Phenylthiourea SCHEMBL1286888 | 0.76 | HTR3E (0.61) | NOS1ALDH1A1LMNAHTR3EHTR3B | |
| Iodide SCHEMBL3535857 | 0.74 | HTR3E (0.72) | NOS1ALDH1A1LMNAHTR3EHTR3B | |
| Iodide SCHEMBL3529244 | 0.74 | CA12 (0.62) | NOS1CA12ALDH1A1CA2CA9 | |
| Phenylthiourea SCHEMBL1387784 | 0.73 | HTR3E (0.64) | NOS1ALDH1A1LMNAHTR3EHTR3B | |
| Phenylthiourea SCHEMBL7030440 | 0.73 | HTR3E (0.64) | NOS1ALDH1A1LMNAHTR3EHTR3B | |
| SCHEMBL3826993 | 0.72 | HTR3E (0.74) | NOS1ALDH1A1LMNAHTR3EHTR3B | |
| Phenylthiourea SCHEMBL4752640 | 0.72 | HTR3E (0.61) | NOS1CA12ALDH1A1CA2CA9 | |
| SCHEMBL5721846 | 0.71 | CA12 (0.58) | CA12ALDH1A1CA2CA9CA14 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8372971-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2532653-A1 | Benzo[1,2,4]triazines as protein kinase modulators | Targegen, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-8084618-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-7652051-B2 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| EP-1799656-A4 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN INC (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1799656-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Targegen, Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | TARGEGEN, INC. (US) | 2006-04-13 | — | — | US | disclosed |
| WO-2006024034-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | TARGEGEN, INC. (US) | 2006-03-02 | — | — | 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 (4 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-20120220584-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | NOS1 3286/4885CA12 2008/4885ALDH1A1 1642/4885 |
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | NOS1 3286/4885CA12 2008/4885ALDH1A1 1642/4885 |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | AADAC, NISCH, PAICS | NOS1 3286/4885CA12 2008/4885ALDH1A1 1642/4885 |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | NOS1 3286/4885CA12 2008/4885ALDH1A1 1642/4885 |
“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.