Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 12/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855055 | 0.80 | LMNA (0.39) | CXCR2BACE1HPGDALDH1A1TSHR | |
| SCHEMBL3855054 | 0.80 | LMNA (0.39) | CXCR2BACE1HPGDALDH1A1TSHR | |
| SCHEMBL5158231 | 0.79 | CXCR2 (0.33) | CXCR2BACE1 | |
| SCHEMBL3854546 | 0.78 | HPGD (0.48) | HPGDALDH1A1TSHR | |
| SCHEMBL3855077 | 0.78 | HCAR3 (0.46) | CXCR2BACE1ALDH1A1 | |
| SCHEMBL31296541 | 0.78 | HPGD (0.48) | HPGDALDH1A1TSHR | |
| SCHEMBL3855079 | 0.78 | HCAR3 (0.46) | CXCR2BACE1ALDH1A1 | |
| SCHEMBL5159054 | 0.76 | HCAR3 (0.38) | BACE1ALDH1A1TSHR | |
| SCHEMBL3853513 | 0.73 | HCAR3 (0.43) | ALDH1A1 | |
| SCHEMBL3853514 | 0.73 | HCAR3 (0.43) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| EP-1740573-A1 | AMIDES AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |
| WO-2005108391-A1 | AMIDES AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |