Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15947640 | 0.84 | PLAU (0.54) | ADORA2APLAUCYP2A6F12NCF1 | |
| SCHEMBL15940603 | 0.83 | ADORA2A (0.54) | GRM5ADORA2APLAUCYP2A6F12 | |
| Hydrochloric Acid SCHEMBL8116929 | 0.81 | ADORA2A (0.53) | GRM5ADORA2APLAUCYP2A6F12 | |
| SCHEMBL12324740 | 0.77 | PLAU (0.49) | ADORA2APLAUCYP2A6F12NCF1 | |
| SCHEMBL15947643 | 0.77 | CYP2A6 (0.49) | GRM5ADORA2APLAUCYP2A6F12 | |
| SCHEMBL17370957 | 0.75 | CHAT (0.49) | GRM5PLAUCYP2A6F12NCF1 | |
| SCHEMBL484167 | 0.74 | S100A4 (0.51) | CYP2A6ADK | |
| SCHEMBL15947630 | 0.74 | APP (0.44) | ADORA2ACYP2A6ADKEGFR | |
| SCHEMBL3790627 | 0.73 | GRM5 (0.51) | GRM5PLAUCYP2A6F12NCF1 | |
| SCHEMBL2431412 | 0.71 | CYP2A6 (0.48) | PLAUCYP2A6F12NCF1NOS3 |
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-20220177446-A1 | ALKYNE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF | Eternity Bioscience Inc. | 2022-06-09 | — | — | 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-20220177446-A1 | ALKYNE COMPOUNDS AS IRAK INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF | IRAK2, IRAK3, IRAK4 | GRM5 1155/4885ADORA2A 3455/4885PLAU 3948/4885 |
“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.