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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 9/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | SKP1 | P63208 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14736561 | 0.85 | PDE10A (0.51) | ALDH1A1GFERPDE10ACKS1BSKP1 | |
| SCHEMBL14736640 | 0.82 | PDE10A (0.54) | ALDH1A1GFERPDE10A | |
| SCHEMBL14736325 | 0.79 | PDE10A (0.57) | ALDH1A1GFERPDE10ANQO2KDM4E | |
| SCHEMBL14736629 | 0.75 | PDE10A (0.56) | ALDH1A1GFERPDE10AADORA3ADORA1 | |
| SCHEMBL1929544 | 0.73 | HDAC1 (0.44) | PDE10ACKS1BSKP1SKP2KDM4E | |
| SCHEMBL14736776 | 0.72 | PDE10A (0.57) | ALDH1A1GFERPDE10ACKS1BSKP1 | |
| SCHEMBL18764883 | 0.72 | ALDH1A1 (0.51) | ALDH1A1GFERNQO2CKS1BSKP1 | |
| SCHEMBL18764760 | 0.71 | ALDH1A1 (0.50) | ALDH1A1GFERNQO2NPSR1KDM4E | |
| SCHEMBL17274166 | 0.69 | PDE10A (0.56) | PDE10A | |
| Iodide SCHEMBL22366539 | 0.69 | CYP2C19 (0.56) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2753604-B1 | PDE10 MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| US-8772510-B2 | PDE10 modulators | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| EP-2574607-A1 | PDE10 modulators | F. Hoffmann-La Roche AG (CH) | 2013-04-03 | — | — | EP | disclosed |
| WO-2013034506-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-14 | — | — | WO | disclosed |
| US-20130059833-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130059833-A1 | PDE10 MODULATORS | PDE10A, PDE5A, PDE2A | ALDH1A1 775/4885GFER 3613/4885PDE10A 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.