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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.57 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 4/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | BCR | P11274 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
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 SCHEMBL6858468 | 1.00 | MEN1 (0.62) | MEN1KMT2ARAB9ATRPA1PABPC1 | |
| SCHEMBL6561252 | 0.98 | MEN1 (0.59) | MEN1KMT2ARAB9ATRPA1PABPC1 | |
| SCHEMBL14101483 | 0.98 | MEN1 (0.59) | MEN1KMT2ARAB9ATRPA1PABPC1 | |
| Iodide SCHEMBL6858881 | 0.83 | GAA (0.64) | MEN1KMT2ARAB9APABPC1EIF4H | |
| Iodide SCHEMBL6559498 | 0.83 | GAA (0.64) | MEN1KMT2ARAB9APABPC1EIF4H | |
| Iodide SCHEMBL8910694 | 0.83 | CHAT (0.64) | MEN1KMT2ARAB9APABPC1EIF4H | |
| SCHEMBL18434798 | 0.83 | MEN1 (0.60) | MEN1KMT2ARAB9APABPC1EIF4H | |
| SCHEMBL8740710 | 0.82 | RELA (0.49) | MEN1KMT2ARAB9ATRPA1PABPC1 | |
| SCHEMBL29620211 | 0.81 | CHAT (0.63) | MEN1KMT2ARAB9APABPC1EIF4H | |
| SCHEMBL7994350 | 0.81 | CHAT (0.63) | MEN1KMT2ARAB9APABPC1EIF4H |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | claimed |
| EP-1235549-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-09-04 | — | — | EP | claimed |
| WO-2001034106-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-05-17 | — | — | WO | claimed |
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |
| EP-1432394-A1 | AGENT FOR COLORING KERATIN FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003030846-A1 | AGENT FOR COLORING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-04-17 | — | — | WO | disclosed |
| EP-1235549-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001034106-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-05-17 | — | — | WO | disclosed |