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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.90 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | DHPS | P49366 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29294 | 0.97 | — | — | |
| SCHEMBL1069234 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL5306840 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL5597193 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL4104867 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL1138747 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL5300899 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL261682 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| SCHEMBL5812638 | 0.95 | MEN1 (1.00) | MEN1KMT2ACYP1A2ALOX15NFKB1 | |
| Hydrochloric Acid SCHEMBL28349745 | 0.95 | MEN1 (0.90) | MEN1KMT2ACYP1A2ALOX15NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007126889-A1 | PREPARATION OF TEGASEROD ACETATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-11-08 | — | — | WO | claimed |
| EP-1740539-A2 | PREPARATION OF TEGASEROD AND TEGASEROD MALEATE | Teva Pharmaceutical Industries Ltd (IL) | 2007-01-10 | — | — | EP | claimed |
| WO-2005105740-A2 | PREPARATION OF TEGASEROD AND TEGASEROD MALEATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2005-11-10 | — | — | WO | claimed |