Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480141 | 0.91 | GPR119 (0.48) | USP30GPR119ALDH1A1PDE4BSTS | |
| SCHEMBL7404268 | 0.89 | CHEK2 (0.49) | CA12CA1CA2CA7PDK2 | |
| SCHEMBL7356060 | 0.89 | GPR119 (0.54) | GPR119ALDH1A1PDE4BSTSEED | |
| SCHEMBL7403357 | 0.87 | PDE4B (0.47) | USP30GPR119ALDH1A1PDE4BCACNB4 | |
| SCHEMBL25155694 | 0.86 | USP30 (0.43) | USP30GPR119ALDH1A1PDE4BNR1H2 | |
| SCHEMBL30344366 | 0.86 | USP30 (0.43) | USP30GPR119ALDH1A1PDE4BNR1H2 | |
| SCHEMBL26689697 | 0.85 | HDAC1 (0.43) | GAAUSP30GPR119ALDH1A1PDE4B | |
| SCHEMBL26689691 | 0.85 | USP30 (0.42) | USP30GPR119ALDH1A1PDE4BNR1H2 | |
| SCHEMBL27150382 | 0.82 | GPR119 (0.49) | USP30GPR119ALDH1A1PDE4BSTS | |
| SCHEMBL27143206 | 0.82 | GPR119 (0.49) | USP30GPR119ALDH1A1PDE4BSTS |
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 5 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-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 |