Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | CCKBR | P32239 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | CCKAR | P32238 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439001 | 1.00 | HDAC1 (0.48) | HDAC1HDAC8CCKBRMEN1KMT2A | |
| SCHEMBL6438987 | 0.88 | F2 (0.56) | HDAC1HDAC8CCKBRCCKAR | |
| SCHEMBL6438985 | 0.88 | F2 (0.56) | HDAC1HDAC8CCKBRCCKAR | |
| SCHEMBL6440430 | 0.87 | F2 (0.43) | — | |
| SCHEMBL6440436 | 0.87 | F2 (0.43) | — | |
| SCHEMBL6440433 | 0.86 | F2 (0.38) | HDAC1HDAC8 | |
| SCHEMBL6438586 | 0.85 | F2 (0.46) | — | |
| SCHEMBL6435980 | 0.85 | F2 (0.47) | — | |
| SCHEMBL6435982 | 0.85 | F2 (0.47) | — | |
| SCHEMBL6438590 | 0.85 | F2 (0.46) | — |
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-1505062-A1 | Heterocyclic derivatives and their use as antithrombotic agents | Akzo Nobel N.V. (NL) | 2005-02-09 | — | — | EP | disclosed |
| US-6444672-B1 | ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR | AKZO NOBEL N.V. (NL) | 2002-09-03 | — | — | US | disclosed |
| US-6194409-B1 | SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH | AKZO NOBEL N.V. (NL) | 2001-02-27 | — | — | US | disclosed |