Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | KLK1 | P06870 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | GNRHR | P30968 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | PDE9A | O76083 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8439957 | 0.92 | CFTR (0.58) | CFTRDRD4ALDH1A1ROCK2CCR2 | |
| SCHEMBL8908061 | 0.87 | CFTR (0.57) | CFTRDRD4ALDH1A1ROCK2AR | |
| SCHEMBL8440897 | 0.86 | CFTR (0.51) | CFTRDRD4ALDH1A1ROCK2DRD3 | |
| SCHEMBL7359317 | 0.86 | KLKB1 (0.51) | ALDH1A1ROCK2KLKB1KLK1CCR2 | |
| SCHEMBL8907770 | 0.84 | CFTR (0.49) | CFTRDRD4ALDH1A1ROCK2AR | |
| SCHEMBL8908297 | 0.83 | CFTR (0.53) | CFTRDRD4ALDH1A1ROCK2CCR2 | |
| SCHEMBL8443423 | 0.82 | CFTR (0.52) | CFTRALDH1A1ROCK2ARCCR2 | |
| SCHEMBL8440689 | 0.81 | HDAC8 (0.49) | CFTRDRD4ALDH1A1KLKB1KLK1 | |
| SCHEMBL8443456 | 0.81 | HDAC8 (0.52) | CFTRALDH1A1ARDRD2GRIN1 | |
| SCHEMBL8486671 | 0.79 | ROCK2 (0.49) | ALDH1A1ROCK2KLKB1KLK1CCR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5859005-A | INHIBITORS OF THROMBIN AND FACTOR XA | BERLEX LABORATORIES, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| US-5731308-A | N,N-di(aryl) cyclic urea derivatives as anti-coagulants | BERLEX LABORATORIES, INC. (US) | 1998-03-24 | — | — | US | disclosed |
| US-5731311-A | N,N-di(aryl) cyclic urea derivatives as anti-coagulants | BERLEX LABORATORIES, INC. (US) | 1998-03-24 | — | — | US | disclosed |
| US-5726173-A | ANTICOAGULANTS | BERLEX LABORATORIES, INC. (US) | 1998-03-10 | — | — | US | disclosed |
| US-5726198-A | FOR INHIBITING COAGULATION ENZYMES | BERLEX LABORATORIES, INC. (US) | 1998-03-10 | — | — | US | disclosed |
| US-5612363-A | FACTOR XA INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1997-03-18 | — | — | US | disclosed |