Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | CTSD | P07339 | 5/20 | 0.47 |
| ▸ | HLA-DRB1 | P01911 | 1/20 | 0.45 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7331474 | 1.00 | BACE1 (0.49) | BACE1CTSDHLA-DRB1CALCRLHRH1 | |
| SCHEMBL7331478 | 1.00 | BACE1 (0.49) | BACE1CTSDHLA-DRB1CALCRLHRH1 | |
| SCHEMBL10376858 | 0.92 | BACE1 (0.52) | BACE1CALCRLHRH1CTSB | |
| SCHEMBL7332698 | 0.87 | CTSD (0.43) | BACE1CTSD | |
| SCHEMBL7322824 | 0.86 | BACE1 (0.55) | BACE1CTSDELANE | |
| SCHEMBL7320854 | 0.86 | BACE1 (0.55) | BACE1CTSDELANE | |
| SCHEMBL7331111 | 0.86 | BACE1 (0.55) | BACE1CTSDELANE | |
| SCHEMBL9754554 | 0.86 | BACE1 (0.55) | BACE1CTSDELANE | |
| SCHEMBL7330691 | 0.85 | CTSD (0.54) | BACE1CTSD | |
| SCHEMBL7325334 | 0.82 | BACE1 (0.56) | BACE1CTSDCALCRLHRH1ELANE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |