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 | 1/20 | 0.44 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15935890 | 0.98 | SPHK1 (0.46) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| Iodide SCHEMBL15924663 | 0.87 | SPHK1 (0.58) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15935904 | 0.85 | SPHK1 (0.59) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15935902 | 0.83 | ESR1 (0.50) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL15935875 | 0.81 | ESR1 (0.49) | SPHK1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL12633476 | 0.78 | KCNH2 (0.55) | CHRM2CHRM5CHRM1CHRM3ACHE | |
| SCHEMBL15921243 | 0.77 | CA2 (0.48) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL12633038 | 0.77 | GNAI3 (0.59) | ALDH1A1LMNACYP3A4CHRM2CHRM5 | |
| SCHEMBL15921399 | 0.76 | CA2 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Hydrochloric Acid SCHEMBL29252830 | 0.76 | GNAI3 (0.62) | LMNACYP3A4CHRM2CHRM5CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |