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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL381091 | 0.98 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Water SCHEMBL3961567 | 0.95 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Bromide SCHEMBL9777444 | 0.95 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| SCHEMBL10748236 | 0.95 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Methane SCHEMBL28941659 | 0.95 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL2477535 | 0.95 | CYP3A4 (0.38) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Formaldehyde SCHEMBL11418512 | 0.91 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Formaldehyde SCHEMBL10945333 | 0.91 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| Carbon Monoxide SCHEMBL11418509 | 0.87 | CYP3A4 (0.32) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 | |
| SCHEMBL624569 | 0.78 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100111867-A1 | CARBORANE-PHOSPHONIUM COMPOUNDS AND THEIR USE IN BORON NEUTRON CAPTURE THERAPY AND IMAGING | THE UNIVERSITY OF SYDNEY (AU) | 2010-05-06 | — | — | US | disclosed |
| EP-2121711-A1 | CARBORANE-PHOSPHONIUM COMPOUNDS AND THEIR USE IN BORON NEUTRON CAPTURE THERAPY AND IMAGING | The University of Sydney (AU) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008098304-A1 | CARBORANE-PHOSPHONIUM COMPOUNDS AND THEIR USE IN BORON NEUTRON CAPTURE THERAPY AND IMAGING | THE UNIVERSITY OF SYDNEY (AU) | 2008-08-21 | — | — | 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-20100111867-A1 | CARBORANE-PHOSPHONIUM COMPOUNDS AND THEIR USE IN BORON NEUTRON CAPTURE THERAPY AND IMAGING | BPNT1, NCDN, BPGM | CYP3A4 4024/4885TDP1 389/4885ALDH1A1 4672/4885 |
“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.