Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | DTYMK | P23919 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4715444 | 0.85 | ALDH1A1 (0.55) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL2248990 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL30594359 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL6249997 | 0.82 | ALDH1A1 (0.56) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL3335610 | 0.82 | GPR119 (0.54) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL1577468 | 0.81 | GPR119 (0.54) | GPR119MAPTPOLBDTYMKKDM4E | |
| SCHEMBL2245357 | 0.81 | GPR119 (0.51) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL30594366 | 0.81 | GPR119 (0.51) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL2418283 | 0.80 | ACHE (0.52) | ALDH1A1GPR119NPC1MAPTMAPK1 | |
| SCHEMBL4062890 | 0.80 | GPR119 (0.61) | ALDH1A1GPR119NPC1MAPTMAPK1 |
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 |