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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1484699 | 0.89 | EPHX1 (0.58) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| Iodide SCHEMBL1484661 | 0.85 | NR1H2 (0.53) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| SCHEMBL8470462 | 0.80 | HPGD (0.54) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| SCHEMBL1788126 | 0.80 | HPGD (0.54) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| Iodide SCHEMBL2455330 | 0.79 | HPGD (0.50) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| Iodide SCHEMBL30779447 | 0.79 | EPHX1 (0.48) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| SCHEMBL5822208 | 0.79 | HSD11B1 (0.68) | EPHX1CYP2C9HSD11B1 | |
| Iodide SCHEMBL30779623 | 0.79 | EPHX1 (0.48) | EPHX1HPGDRECQLUSP2SMN1; SMN2 | |
| SCHEMBL470552 | 0.79 | HSD11B1 (0.68) | EPHX1CYP2C9HSD11B1 | |
| SCHEMBL8296190 | 0.79 | HSD11B1 (0.68) | EPHX1CYP2C9HSD11B1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483277-B1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2015-12-02 | — | — | EP | disclosed |
| US-9175009-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-20150094347-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-04-02 | — | — | US | disclosed |
| US-8952043-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENETECH, INC. (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2784078-A1 | Benzoxepin pi3k inhibitor compounds and methods of use | F. Hoffmann-La Roche AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| US-20140135308-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-8673952-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2014-03-18 | — | — | US | disclosed |
| US-20130012488-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BLAQUIERE NICOLE (US) | 2013-01-10 | — | — | US | disclosed |
| US-8263633-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2012-09-11 | — | — | US | disclosed |
| US-20110076291-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | 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 (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-20130012488-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, PIK3R2 | EPHX1 390/4885HPGD 1225/4885RECQL 1053/4885 |
| US-20110076291-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | EPHX1 551/4885HPGD 3695/4885RECQL 1094/4885 |
| US-20150094347-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | EPHX1 551/4885HPGD 3695/4885RECQL 1094/4885 |
| US-20140135308-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | EPHX1 551/4885HPGD 3695/4885RECQL 1094/4885 |
“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.