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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL19055591 | 0.98 | MAOB (0.42) | MAOBCES1CYP2A6MAOASETD7 | |
| Iodide SCHEMBL8204922 | 0.86 | NOS3 (0.42) | MAOBMAOANOS3NOS2ADRB2 | |
| Iodide SCHEMBL9378363 | 0.76 | MAOB (0.41) | MAOBCES1CYP2A6MAOASETD7 | |
| SCHEMBL19042660 | 0.74 | MAOB (0.40) | MAOBCES1CYP2A6MAOASETD7 | |
| Iodide SCHEMBL7990196 | 0.74 | PDE10A (0.37) | PARP1HPGDTYMSHTR1ADRD2 | |
| SCHEMBL19055589 | 0.73 | CARM1 (0.37) | MAOBCES1CYP2A6MAOASETD7 | |
| SCHEMBL19042572 | 0.72 | MAOB (0.38) | MAOBCES1CYP2A6MAOASETD7 | |
| SCHEMBL19055619 | 0.71 | CARM1 (0.36) | MAOBCES1PARP1CARM1HPGD | |
| Iodide SCHEMBL4108805 | 0.70 | CARM1 (0.52) | CARM1HPGDL3MBTL1HRH1LMNA | |
| Iodide SCHEMBL9374211 | 0.70 | HTR1A (0.37) | MAOBL3MBTL1CYP1A2ADRB2CHRM2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611788-B1 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | UNIV FLORIDA (US) | 2017-04-12 | — | — | EP | disclosed |
| US-9440948-B2 | Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2016-09-13 | — | — | US | disclosed |
| EP-2611788-A2 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | University of Florida Research Foundation, Incorporated (US) | 2013-07-10 | — | — | EP | disclosed |
| US-20130157995-A1 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-06-20 | — | — | US | disclosed |
| WO-2012031220-A2 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-03-08 | — | — | WO | disclosed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | 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 (1 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-20130157995-A1 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | CHRNG, CHRNB1, CHRNB2 | CHRM1 14/4885CHRM3 21/4885MAOB 64/4885 |
“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.