Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | PDE4A | P27815 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.44 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.44 |
| ▸ | CACNG1 | Q06432 | 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 | |
|---|---|---|---|---|
| SCHEMBL7357830 | 0.90 | GPR119 (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL7364955 | 0.88 | PDE4B (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL12316429 | 0.87 | PDE4B (0.53) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL8081429 | 0.87 | GPR119 (0.51) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL29964750 | 0.82 | GPR119 (0.59) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL7355186 | 0.81 | GPR119 (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL21612824 | 0.81 | GPR119 (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL29686047 | 0.81 | GPR119 (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL3160552 | 0.80 | GPR119 (0.54) | GPR119PDE4BPDE4DPDE4APDE4C | |
| SCHEMBL16818268 | 0.80 | GPR119 (0.65) | GPR119PDE4BPDE4DPDE4APDE4C |
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-5777123-A | Process for regioselective substitution of trifluorobenzoate or trifluorobenzonitrile | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5756497-A | BENZOXAZINE DERAVITIVE | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1997031891-A1 | PROCESS FOR REGIOSELECTIVE SUBSTITUTION OF TRIFLUOROBENZOATE OR TRIFLUOROBENZONITRILE | MERCK & CO., INC. (US) | 1997-09-04 | — | — | WO | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |