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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | IRS1 | P35568 | 2/20 | 0.41 |
| ▸ | GAB1 | Q13480 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL12923491 | 0.88 | S1PR1 (0.41) | AKT1IRS1GAB1CA12CA1 | |
| SCHEMBL979245 | 0.86 | AKT1 (0.41) | AKT1IRS1GAB1CA12CA1 | |
| SCHEMBL15589848 | 0.86 | FAAH (0.38) | CA12CA1CA2CA9SPHK1 | |
| Iodide SCHEMBL980308 | 0.86 | AKT1 (0.46) | AKT1IRS1GAB1CA12CA1 | |
| SCHEMBL980157 | 0.85 | AKT1 (0.43) | AKT1IRS1GAB1CA12CA1 | |
| Iodide SCHEMBL979814 | 0.83 | S1PR1 (0.46) | CA12CA1CA2CA9SPHK1 | |
| Trifluoroacetic Acid SCHEMBL982583 | 0.81 | CA12 (0.38) | AKT1IRS1GAB1CA12CA1 | |
| SCHEMBL977960 | 0.81 | CA12 (0.37) | CA12CA1CA2CA9SPHK1 | |
| Iodide SCHEMBL977621 | 0.80 | AKT1 (0.45) | AKT1IRS1GAB1CA12CA1 | |
| Iodide SCHEMBL978539 | 0.80 | EPHX2 (0.43) | CA12CA1CA2CA9SPHK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8680282-B2 | Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2014-03-25 | — | — | US | disclosed |
| US-20110015174-A1 | CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2011-01-20 | — | — | 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-20110015174-A1 | CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | CPT1A, CPT1B, CPT2 | AKT1 2154/4885IRS1 1546/4885GAB1 1423/4885 |
“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.