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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13819918 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5316437 | 0.95 | TP53 (0.39) | TP53SMN1; SMN2NPC1POLBRAB9A | |
| Bromide SCHEMBL6738889 | 0.95 | TP53 (0.39) | TP53SMN1; SMN2NPC1POLBRAB9A | |
| Iodide SCHEMBL14633634 | 0.74 | HDAC8 (0.44) | TP53SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL8305261 | 0.74 | — | — | |
| SCHEMBL18685357 | 0.74 | ESR1 (0.34) | SMN1; SMN2NPC1POLBRAB9A | |
| Iodide SCHEMBL31026694 | 0.73 | KDM4E (0.42) | TP53SMN1; SMN2NPC1POLBRAB9A | |
| Iodide SCHEMBL9877545 | 0.73 | KDM4E (0.42) | TP53SMN1; SMN2NPC1POLBRAB9A | |
| Iodide SCHEMBL7311521 | 0.73 | TP53 (0.39) | TP53 | |
| SCHEMBL329433 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0862432-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997009043-A9 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | — | 1997-09-18 | — | — | WO | disclosed |
| WO-1997009043-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1997-03-13 | — | — | WO | disclosed |