Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24824473 | 0.83 | KCNN4 (0.52) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL22012213 | 0.83 | KCNN4 (0.52) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL25134588 | 0.80 | KCNN4 (0.48) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL26687550 | 0.79 | KCNN4 (0.48) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL2635547 | 0.79 | CES2 (0.47) | TP53CES2ALDH1A1POLBGAA | |
| SCHEMBL3346352 | 0.79 | CES2 (0.47) | TP53CES2ALDH1A1POLBGAA | |
| SCHEMBL27918654 | 0.79 | KCNN4 (0.48) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL7929172 | 0.78 | KCNN4 (0.50) | KCNN4ACHECYP19A1CHRM3HDAC3 | |
| SCHEMBL179310 | 0.78 | KCNN4 (0.50) | KCNN4ACHECYP19A1HDAC3HDAC1 | |
| SCHEMBL11597249 | 0.78 | KCNN4 (0.55) | KCNN4ACHECYP19A1CHRM3HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030064991-A1 | Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-03 | — | — | 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-20030064991-A1 | Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor | ACKR3, CCR5, CXCR4 | KCNN4 4467/4885ACHE 2842/4885CYP19A1 669/4885 |
“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.