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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | CA9 | Q16790 | 3/20 | 0.62 |
| ▸ | NOS3 | P29474 | 4/20 | 0.58 |
| ▸ | NOS2 | P35228 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.48 |
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | S100B | P04271 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| Phenylthiourea SCHEMBL1286888 | 0.78 | HTR3E (0.61) | NOS3NOS2NOS1ESR2ESR1 | |
| SCHEMBL4099993 | 0.77 | CA12 (1.00) | CA12CA1CA2CA9NOS3 | |
| Phenylthiourea SCHEMBL1387784 | 0.75 | HTR3E (0.64) | NOS3NOS2NOS1ESR2ESR1 | |
| Hydrochloric Acid SCHEMBL3126857 | 0.75 | CA12 (1.00) | CA12CA1CA2CA9NOS3 | |
| Phenylthiourea SCHEMBL7030440 | 0.75 | HTR3E (0.64) | NOS3NOS2NOS1ESR2ESR1 | |
| Iodide SCHEMBL3537455 | 0.74 | NOS1 (0.47) | CA12CA1CA2CA9NOS3 | |
| Phenylthiourea SCHEMBL4752640 | 0.73 | HTR3E (0.61) | CA12CA1CA2CA9NOS3 | |
| SCHEMBL1703486 | 0.71 | PLG (0.67) | CA12CA1CA2CA9NOS3 | |
| Iodide SCHEMBL3530978 | 0.70 | NOS3 (0.56) | NOS3NOS2GAANOS1POLB | |
| SCHEMBL9059289 | 0.70 | GAA (0.63) | CA12CA1CA2CA9NOS3 |
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 | CA12 2008/4885CA1 1002/4885CA2 1344/4885 |
| US-20130243754-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | CA12 2008/4885CA1 1002/4885CA2 1344/4885 |
| US-20060079526-A1 | Heterocyclic compounds and methods of use | AADAC, NISCH, PAICS | CA12 2008/4885CA1 1002/4885CA2 1344/4885 |
| US-20100330069-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AADAC, NISCH, PAICS | CA12 2008/4885CA1 1002/4885CA2 1344/4885 |
“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.