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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8678341 | 1.00 | CYP2D6 (0.33) | CYP2D6PRMT1MEN1KMT2AACKR3 | |
| SCHEMBL8821712 | 0.91 | ALDH1A1 (0.32) | CYP2D6 | |
| Iodide SCHEMBL8745570 | 0.67 | MEN1 (0.33) | CYP2D6MEN1KMT2ANPC1RAB9A | |
| Iodide SCHEMBL8678340 | 0.66 | RAB9A (0.44) | MEN1KMT2ANPC1USP2APOBEC3A | |
| SCHEMBL7904469 | 0.65 | ESR1 (0.45) | CYP2D6MEN1KMT2ANPC1RAB9A | |
| SCHEMBL2845203 | 0.65 | AKR1C1 (0.45) | CYP2D6PRMT1MEN1KMT2ARAB9A | |
| SCHEMBL8745599 | 0.65 | MEN1 (0.32) | CYP2D6MEN1KMT2ANPC1RAB9A | |
| Iodide SCHEMBL28759125 | 0.65 | CHAT (0.41) | CYP2D6MEN1KMT2AACKR3APOBEC3A | |
| Iodide SCHEMBL5229857 | 0.65 | MEN1 (0.42) | CYP2D6MEN1KMT2ANPC1APOBEC3A | |
| Iodide SCHEMBL7035375 | 0.65 | KDM4A (0.49) | MEN1KMT2ANPC1USP2APOBEC3A |
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 2 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-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1997-03-13 | — | — | WO | disclosed |