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 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL30213860 | 0.85 | — | — | |
| Iodide SCHEMBL119846 | 0.85 | — | — | |
| SCHEMBL9848158 | 0.83 | — | — | |
| Bromide SCHEMBL9387001 | 0.81 | — | — | |
| Iodide SCHEMBL3865753 | 0.77 | HDAC8 (0.38) | HDAC8TSHRKDM4ESMN1; SMN2MEN1 | |
| Perchlorate SCHEMBL11484878 | 0.75 | HDAC8 (0.82) | HDAC8TSHRKDM4ESMN1; SMN2MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL320422 | 0.66 | HDAC8 (0.62) | HDAC8KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL31105615 | 0.66 | HDAC8 (0.62) | HDAC8KCNH2ACHE | |
| Iodide SCHEMBL14633634 | 0.64 | HDAC8 (0.44) | HDAC8TSHRKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL1325535 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0296573-B1 | Novel nucleosides, their preparation and pharmaceutical compositions | HOFFMANN LA ROCHE (CH) | 1994-01-12 | — | — | EP | disclosed |
| US-RE33887-E | Anti-retroviral compounds | HOFFMANN-LA ROCHE INC. (US) | 1992-04-14 | — | — | US | disclosed |
| US-4837311-A | 2',3'-DIDEOXYNUCLEOSIDES | HOFFMAN-LA ROCHE INC. (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0296573-A2 | Novel nucleosides, their preparation and pharmaceutical compositions | F. HOFFMANN-LA ROCHE AG (CH) | 1988-12-28 | — | — | EP | disclosed |