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 | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4574081 | 0.98 | SPHK2 (0.44) | SPHK2SPHK1DNM1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL4575154 | 0.95 | SPHK2 (0.43) | SPHK2SPHK1DNM1NOS3NOS1 | |
| SCHEMBL9290902 | 0.95 | SPHK2 (0.48) | SPHK2SPHK1DNM1NOS3NOS1 | |
| SCHEMBL3093556 | 0.95 | SPHK2 (0.48) | SPHK2SPHK1DNM1NOS3NOS1 | |
| SCHEMBL27591516 | 0.95 | SPHK2 (0.48) | SPHK2SPHK1DNM1NOS3NOS1 | |
| SCHEMBL9290792 | 0.91 | — | — | |
| Sulfuric Acid SCHEMBL27931646 | 0.86 | SPHK1 (0.41) | SPHK2SPHK1DNM1MGLLCA12 | |
| Acetic Acid SCHEMBL27609842 | 0.86 | SPHK2 (0.41) | SPHK2SPHK1DNM1HSD17B10MEN1 | |
| SCHEMBL28201774 | 0.84 | SPHK2 (0.50) | SPHK2SPHK1DNM1NOS3NOS1 | |
| Maleic Acid SCHEMBL5151415 | 0.83 | ZDHHC20 (0.44) | PLA2G1BALDH1A1THRB |
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 4 patents. 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 | claimed |
| US-20060178519-A1 | Process for preparing tegaserod | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-08-10 | — | — | US | claimed |
| WO-2007119109-A2 | PROCESSES FOR PREPARING TEGASEROD MALEATE AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MEDICHEM, S.A. (US) | 2007-10-25 | — | — | WO | disclosed |
| US-20060178519-A1 | Process for preparing tegaserod | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-08-10 | — | — | 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 (1 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-20060178519-A1 | Process for preparing tegaserod | MLNR, MLN, UGT1A9 | SPHK2 3872/4885SPHK1 3569/4885DNM1 3669/4885 |
“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.