Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL25009524 | 0.92 | ALDH1A1 (0.64) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL30271363 | 0.92 | ALDH1A1 (0.64) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL19840096 | 0.89 | ALDH1A1 (0.57) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL7476905 | 0.88 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL15848145 | 0.88 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL25011550 | 0.85 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL25009486 | 0.85 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL30271391 | 0.85 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL12069062 | 0.83 | ALDH1A1 (0.59) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL70137 | 0.83 | ALDH1A1 (0.59) | ALDH1A1NPC1MAPTMAPK1HTT |
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 2 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 |