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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 10/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | IL1RN | P18510 | 2/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
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 SCHEMBL3683811 | 1.00 | CAPN1 (0.44) | CAPN1MMP13PFKFB3F2IL1RN | |
| SCHEMBL13409939 | 0.86 | PFKFB3 (0.50) | CAPN1MMP13PFKFB3F2IL1RN | |
| SCHEMBL3683117 | 0.82 | RXFP1 (0.45) | CAPN1MMP13PFKFB3F2IL1RN | |
| Trifluoroacetic Acid SCHEMBL3686963 | 0.81 | RXFP1 (0.47) | CAPN1MMP13PFKFB3F2IL1RN | |
| Iodide SCHEMBL3683564 | 0.81 | RAB9A (0.47) | CAPN1MMP13ALDH1A1 | |
| Iodide SCHEMBL3683563 | 0.81 | RAB9A (0.47) | CAPN1MMP13ALDH1A1 | |
| Iodide SCHEMBL3683383 | 0.80 | MMP2 (0.51) | MMP13 | |
| Iodide SCHEMBL3683387 | 0.80 | MMP2 (0.51) | MMP13 | |
| Trifluoroacetic Acid SCHEMBL3683119 | 0.79 | RXFP1 (0.46) | CAPN1MMP13PFKFB3F2IL1RN | |
| Iodide SCHEMBL3680254 | 0.78 | MMP2 (0.52) | MMP13 |
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-8410150-B2 | Inhibitors of carnitine palmitoyltransferase and treating cancer | UNIVERSITY HEALTH NETWORK (CA) | 2013-04-02 | — | — | US | disclosed |
| US-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK | 2010-04-29 | — | — | US | disclosed |
| WO-2008109991-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2008-09-18 | — | — | 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-20100105900-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | CPT1A, CPT1B, CPT2 | CAPN1 365/4885MMP13 1256/4885PFKFB3 1127/4885 |
“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.