Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 2/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6190273 | 0.91 | S1PR3 (0.38) | DHFRCA1CA2S1PR3CTSD | |
| SCHEMBL6188559 | 0.85 | DHFR (0.34) | DHFRCA1CA2CA12CA9 | |
| SCHEMBL8253567 | 0.85 | HDAC1 (0.35) | SIGMAR1NPSR1S1PR3 | |
| SCHEMBL6188556 | 0.82 | DHFR (0.33) | DHFRHSD11B1CTSDBACE1 | |
| SCHEMBL8206799 | 0.80 | KDM4E (0.42) | CA1CA2SIGMAR1MAPTATM | |
| SCHEMBL6193123 | 0.76 | HDAC1 (0.40) | S1PR3 | |
| SCHEMBL6185337 | 0.74 | KDM4E (0.45) | CA1CA2NPSR1MAPT | |
| SCHEMBL6190723 | 0.73 | HDAC1 (0.41) | CA1CA2CA12CA9SIGMAR1 | |
| SCHEMBL6188704 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL10237702 | 0.72 | SIGMAR1 (0.41) | CA1CA2SIGMAR1 |
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 |