Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.53 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.52 |
| ▸ | PDE4A | P27815 | 2/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.52 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.47 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.47 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.47 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7398599 | 0.90 | KDM1A (0.52) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL5098530 | 0.87 | KDM1A (0.55) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL7354087 | 0.86 | PDE4B (0.53) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL7397844 | 0.86 | KDM1A (0.48) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL7404325 | 0.84 | PDE4B (0.52) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL19839235 | 0.82 | PDE4B (0.64) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL28353746 | 0.82 | MEN1 (0.51) | GPR119PDE4BALDH1A1MEN1USP2 | |
| SCHEMBL3165306 | 0.81 | GPR119 (0.48) | KDM1AGPR119NPBWR1MCHR1MEN1 | |
| SCHEMBL16296065 | 0.81 | KDM1A (0.53) | KDM1AGPR119PDE4BPDE4DPDE4A | |
| SCHEMBL30826617 | 0.81 | PDE4B (0.57) | KDM1AGPR119PDE4BPDE4DPDE4A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714299-B1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2002-04-24 | — | — | EP | disclosed |
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5665719-A | Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0714299-A4 | — | — | 1996-07-10 | — | — | EP | disclosed |
| EP-0714299-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995002405-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |