Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.37 |
| ▸ | CNR1 | P21554 | 10/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4149878 | 0.95 | HPGD (0.39) | EGFRCNR1ERBB2CNR2HPGD | |
| SCHEMBL14073985 | 0.92 | PAK4 (0.38) | EGFRCNR1ERBB2CNR2 | |
| SCHEMBL4163815 | 0.92 | PAK4 (0.38) | EGFRCNR1ERBB2CNR2 | |
| SCHEMBL4163812 | 0.92 | PAK4 (0.38) | EGFRCNR1ERBB2CNR2 | |
| SCHEMBL13772343 | 0.92 | PAK4 (0.38) | EGFRCNR1ERBB2CNR2 | |
| SCHEMBL4148898 | 0.91 | EPHA2 (0.38) | EGFR | |
| SCHEMBL4148894 | 0.91 | EPHA2 (0.38) | EGFR | |
| SCHEMBL8325093 | 0.91 | EPHA2 (0.38) | EGFR | |
| SCHEMBL4150065 | 0.91 | PAK4 (0.40) | EGFRCNR1ERBB2CNR2 | |
| SCHEMBL6262544 | 0.90 | EGFR (0.40) | EGFRCNR1ERBB2CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | WO | disclosed |