Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7414050 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL7411009 | 0.85 | NPC1 (0.50) | ALDH1A1MAPTKDM4ETSHRCYP1A2 | |
| SCHEMBL7411010 | 0.85 | NPC1 (0.50) | ALDH1A1MAPTKDM4ETSHRCYP1A2 | |
| SCHEMBL13306593 | 0.83 | F3 (0.49) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL7091574 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL24225567 | 0.78 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL867263 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNA | |
| SCHEMBL4109907 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNA | |
| SCHEMBL4109909 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNA | |
| SCHEMBL867262 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6482824-B1 | Use of n-substituted (3,6-dihydro)-2h-1,2-oxazine derivatives as selective mglur1 antagonists | ELI LILLY AND COMPANY | 2002-11-19 | — | — | US | disclosed |
| EP-1124806-A2 | USE OF N-SUBSTITUTED (3,6-DIHYDRO)-2H-1,2-OXAZINE DERIVATIVES AS SELECTIVE MGLUR1 ANTAGONISTS | ELI LILLY AND COMPANY LIMITED (GB) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026198-A1 | N-SUBSTITUTED (3,6-DIHYDRO)-2H-1,2-OXAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE MGLUR1 ANTAGONISTS | ELI LILLY AND COMPANY LIMITED (GB) | 2000-05-11 | — | — | WO | disclosed |
| WO-2000026199-A2 | USE OF N-SUBSTITUTED (3,6-DIHYDRO)-2H-1,2-OXAZINE DERIVATIVES AS SELECTIVE MGLUR1 ANTAGONISTS | ELI LILLY AND COMPANY LIMITED (GB) | 2000-05-11 | — | — | WO | disclosed |