Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GCK | P35557 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1795616 | 0.86 | KDM4E (0.55) | CYP1A2CYP2C9SIRT2XDHMAPT | |
| SCHEMBL8136810 | 0.82 | ALDH1A1 (0.47) | SIRT2XDHMAPTNPC1TP53 | |
| SCHEMBL8922059 | 0.82 | HPGD (0.44) | SIRT2XDHMAPTNPC1TP53 | |
| SCHEMBL8199077 | 0.81 | BRAF (0.51) | CYP1A2CYP2C9MAPTNPC1GAA | |
| SCHEMBL6188306 | 0.80 | XDH (0.44) | SIRT2XDHMAPTNPC1TP53 | |
| SCHEMBL8205935 | 0.76 | SIRT2 (0.50) | CYP1A2CYP2C9SIRT2NPC1RAB9A | |
| SCHEMBL100519 | 0.73 | KDM4E (0.54) | CYP1A2CYP2C9XDHMAPTGAA | |
| SCHEMBL13163935 | 0.72 | KDM4E (0.52) | MAPTGAAHTTNR1H4KDM4E | |
| SCHEMBL3131118 | 0.72 | GCK (0.39) | MAPTNPC1TP53GAAHTT | |
| SCHEMBL3130069 | 0.72 | PSMB11 (0.40) | TP53GAASMN1; SMN2GCKKDM4E |
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-0979227-A1 | 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998047882-A1 | 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-29 | — | — | WO | disclosed |