Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 7/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3003921 | 0.95 | BACE1 (0.40) | BACE1KMT2AHRH4HRH3CNR1 | |
| SCHEMBL6224761 | 0.90 | POLB (0.42) | KMT2AHRH4HRH3LMNAL3MBTL1 | |
| SCHEMBL3000397 | 0.90 | BACE1 (0.34) | BACE1KMT2AHRH4CNR1CNR2 | |
| SCHEMBL6224252 | 0.89 | POLB (0.39) | KMT2AHRH4HRH3LMNAL3MBTL1 | |
| SCHEMBL2995737 | 0.89 | BACE1 (0.34) | BACE1KMT2ACNR1CNR2EGFR | |
| SCHEMBL6226058 | 0.87 | HRH4 (0.41) | HRH4HRH3CNR1CNR2EGFR | |
| SCHEMBL8322256 | 0.85 | TSHR (0.44) | KMT2ALMNAL3MBTL1POLB | |
| SCHEMBL3002040 | 0.85 | POLB (0.37) | KMT2AHRH4HRH3LMNAL3MBTL1 | |
| SCHEMBL2995802 | 0.84 | CNR1 (0.40) | HRH4HRH3CNR1CNR2EGFR | |
| SCHEMBL3004953 | 0.84 | KMT2A (0.36) | BACE1KMT2AHRH4HRH3CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | disclosed |
| 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 |