Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 9/20 | 0.45 |
| ▸ | GRM5 | P41594 | 8/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4888709 | 0.88 | CNR1 (0.53) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL12965676 | 0.87 | GRM1 (0.52) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL31443584 | 0.85 | PDK4 (0.56) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL31223106 | 0.85 | PDK4 (0.53) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL31192678 | 0.84 | PDK4 (0.55) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL30736543 | 0.84 | PDK4 (0.64) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL8075949 | 0.84 | PDK4 (0.64) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL1199843 | 0.84 | PDK4 (0.54) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL31443630 | 0.84 | PDK4 (0.54) | PDK4JAK1NAMPTHTR6GRM1 | |
| SCHEMBL31222963 | 0.84 | PDK4 (0.54) | PDK4JAK1NAMPTHTR6GRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030095958-A1 | Inhibitors of bace | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | US | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | 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-20030095958-A1 | Inhibitors of bace | BACE2, BACE1, APP | PDK4 4236/4885JAK1 4664/4885NAMPT 883/4885 |
“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.