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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 6/20 | 0.43 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL13197320 | 0.99 | DRD4 (0.44) | DRD4DRD2DRD3NPC1RAB9A | |
| Iodide SCHEMBL2830536 | 0.90 | DRD4 (0.40) | DRD4DRD2DRD3NPC1RAB9A | |
| SCHEMBL1385145 | 0.89 | DRD4 (0.41) | DRD4DRD2DRD3NPC1RAB9A | |
| SCHEMBL2836954 | 0.87 | DRD2 (0.44) | DRD4DRD2DRD3NPC1RAB9A | |
| SCHEMBL2834214 | 0.87 | HTR7 (0.41) | DRD4DRD2DRD3NPC1RAB9A | |
| SCHEMBL1383557 | 0.86 | DRD2 (0.47) | DRD4DRD2PIK3CDPIK3R1SMN1; SMN2 | |
| SCHEMBL2831333 | 0.85 | PIK3CD (0.46) | DRD4DRD2DRD3NPC1RAB9A | |
| SCHEMBL2835009 | 0.83 | PPARG (0.43) | DRD3NPC1RAB9ANAMPTSMN1; SMN2 | |
| SCHEMBL2834166 | 0.82 | HTR1A (0.38) | SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL1380879 | 0.82 | MEN1 (0.43) | DRD4DRD2DRD3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7781441-B2 | (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine | HOFFMANN-LA ROCHE INC. (US) | 2010-08-24 | — | — | US | disclosed |
| EP-1888538-B1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | HOFFMANN LA ROCHE (CH) | 2009-11-18 | — | — | EP | disclosed |
| EP-1888538-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. Hoffmann-Roche AG (CH) | 2008-02-20 | — | — | EP | disclosed |
| US-20060252779-A1 | (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine | HOFFMANN-LA ROCHE INC. | 2006-11-09 | — | — | US | disclosed |
| WO-2006117305-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-09 | — | — | WO | 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-20060252779-A1 | (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine | HTR5A, NPY5R, HTR3A | DRD4 208/4885DRD2 147/4885DRD3 202/4885 |
“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.