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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 SCHEMBL7060534 | 0.75 | ACHE (0.54) | ACHEKDM4EGLAALDH1A1MAOA | |
| SCHEMBL19055622 | 0.73 | ACHE (0.55) | ACHEKDM4EGLAALDH1A1MAOA | |
| SCHEMBL28209834 | 0.69 | PDE10A (0.47) | ACHEPDE10AKDM4EGLAALDH1A1 | |
| Iodide SCHEMBL10705028 | 0.69 | ACHE (0.50) | ACHEKDM4EGLAALDH1A1MAOA | |
| SCHEMBL30979840 | 0.68 | MAPK10 (0.80) | KDM4EGLAALDH1A1MAOAMAPK10 | |
| SCHEMBL7853515 | 0.68 | KMT2A (0.50) | PDE10AKDM4EGLAALDH1A1MAPK10 | |
| SCHEMBL5355121 | 0.68 | MAPK10 (0.80) | KDM4EGLAALDH1A1MAOAMAPK10 | |
| SCHEMBL14131507 | 0.68 | ACHE (0.49) | ACHEKDM4EGLARCE1KDM1A | |
| Bromide SCHEMBL7060320 | 0.67 | ACHE (0.48) | ACHEKDM4EGLARCE1KDM1A | |
| Iodide SCHEMBL11446040 | 0.66 | ACHE (0.74) | ACHEKDM4EGLAALDH1A1MAOA |
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-1117627-B1 | TRANSFER HYDROGENATION PROCESS | AVECIA LTD (GB) | 2003-05-28 | — | — | EP | disclosed |
| US-6509467-B1 | Of iminium salts using transition metal complex catalyst | AVECIA LIMITED (GB) | 2003-01-21 | — | — | US | disclosed |
| EP-1117627-A1 | TRANSFER HYDROGENATION PROCESS | Avecia Limited (GB) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018708-A1 | TRANSFER HYDROGENATION PROCESS | AVECIA LIMITED (GB) | 2000-04-06 | — | — | WO | disclosed |