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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.75 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1105809 | 0.99 | KDM4E (0.77) | KDM4EPOLBRECQLHTTKMT2A | |
| Bromide SCHEMBL3915979 | 0.97 | KDM4E (0.80) | KDM4EPOLBRECQLHTTKMT2A | |
| SCHEMBL15419914 | 0.97 | KDM4E (0.79) | KDM4EPOLBRECQLHTTKMT2A | |
| SCHEMBL16663887 | 0.93 | KDM4E (0.81) | KDM4EPOLBRECQLHTTKMT2A | |
| Iodide SCHEMBL29210094 | 0.89 | KDM4E (0.94) | KDM4EPOLBRECQLHTTKMT2A | |
| SCHEMBL8022993 | 0.87 | KDM4E (0.97) | KDM4EPOLBRECQLHTTKMT2A | |
| Bromide SCHEMBL8512189 | 0.86 | KDM4E (1.00) | KDM4EPOLBRECQLHTTKMT2A | |
| SCHEMBL13686278 | 0.85 | KDM4E (0.62) | KDM4EPOLBRECQL | |
| SCHEMBL13645489 | 0.84 | KDM4E (0.64) | KDM4EPOLBRECQLHTTMAPT | |
| SCHEMBL7069818 | 0.83 | KDM4E (0.54) | KDM4EPOLBRECQLHTTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110294118-A1 | WATER SOLUBLE FLUORESCENT COMPOUNDS | BIOSEARCH TECHNOLOGIES, INC. (US) | 2011-12-01 | — | — | US | disclosed |
| US-7868157-B2 | low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium | BIOSEARCH TECHNOLOGIES, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| US-20070021621-A1 | Water soluble fluorescent compounds | BIOSEARCH TECHNOLOGIES, INC. (US) | 2007-01-25 | — | — | US | 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 (2 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-20110294118-A1 | WATER SOLUBLE FLUORESCENT COMPOUNDS | ABCG2, AQP1, AQP3 | KDM4E 4769/4885POLB 3349/4885RECQL 2152/4885 |
| US-20070021621-A1 | Water soluble fluorescent compounds | ABCG2, AQP1, AQP3 | KDM4E 4769/4885POLB 3349/4885RECQL 2152/4885 |
“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.