Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.43 |
| ▸ | WNT3A | P56704 | 7/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | EPM2A | O95278 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.37 |
| ▸ | CHRNG | P07510 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL96127 | 0.73 | CYP2A6 (0.66) | CYP2A6CTNNB1WNT3AHTR1BDYRK1A | |
| SCHEMBL3441414 | 0.70 | AR (0.61) | CYP2A6CTNNB1WNT3AARHTR1B | |
| SCHEMBL29968261 | 0.70 | CYP2A6 (1.00) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL827799 | 0.70 | CYP2A6 (1.00) | CYP2A6HTR1BDYRK1ACDK9EPM2A | |
| SCHEMBL15441267 | 0.70 | CYP2A6 (0.66) | CYP2A6CTNNB1WNT3AHTR1BDYRK1A | |
| SCHEMBL16367840 | 0.67 | PRSS1 (0.38) | — | |
| SCHEMBL5809234 | 0.67 | CTNNB1 (0.48) | CYP2A6CTNNB1WNT3AHTR1BEPM2A | |
| Hydrochloric Acid SCHEMBL2822366 | 0.66 | CTNNB1 (0.63) | CYP2A6CTNNB1WNT3AARHTR1B | |
| SCHEMBL5204866 | 0.66 | ALDH1A1 (0.46) | CTNNB1WNT3AHTR3A | |
| SCHEMBL11242597 | 0.66 | HTR1B (0.43) | CYP2A6CTNNB1WNT3APLAUAR |
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-20040077557-A1 | Macrolide antibiotics | GLAXO GROUP LIMITED (GB) | 2004-04-22 | — | — | 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-20040077557-A1 | Macrolide antibiotics | MALT1, MRPL21, IL1R1 | CYP2A6 562/4885CTNNB1 3280/4885WNT3A 3324/4885 |
“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.