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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4280721 | 0.98 | SPHK1 (0.43) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| SCHEMBL5848841 | 0.96 | SPHK1 (0.46) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| SCHEMBL10006883 | 0.96 | SPHK1 (0.46) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| Iodide SCHEMBL28722729 | 0.93 | SPHK2 (0.38) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| SCHEMBL3166180 | 0.91 | — | — | |
| Acetic Acid SCHEMBL5849280 | 0.87 | HDAC3 (0.43) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| SCHEMBL28846843 | 0.84 | SPHK1 (0.41) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| SCHEMBL27528372 | 0.84 | SPHK1 (0.41) | SPHK1SPHK2HDAC1HDAC3HDAC2 | |
| Hydrochloric Acid SCHEMBL28575898 | 0.84 | FAAH (0.47) | — | |
| Hydrochloric Acid SCHEMBL28721527 | 0.83 | SPHK1 (0.40) | SPHK1SPHK2HDAC1HDAC3HDAC2 |
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-2007119109-A2 | PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MEDICHEM, S.A. (US) | 2007-10-25 | — | — | WO | disclosed |