Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27361709 | 0.90 | ALDH1A1 (0.36) | HDAC8HDAC6 | |
| SCHEMBL8564883 | 0.89 | CA12 (0.34) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8562850 | 0.80 | CYP4A11 (0.35) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8565003 | 0.78 | CA12 (0.36) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8567809 | 0.77 | CA12 (0.36) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8567806 | 0.77 | CA12 (0.36) | NR3C2CA12CA1CA2CA9 | |
| SCHEMBL8570601 | 0.73 | HDAC8 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8565056 | 0.72 | HDAC8 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL19266188 | 0.70 | HDAC8 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8569300 | 0.69 | ATIC (0.33) | NR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5688800-A | ANTITUMOR AGENTS | EISAI CO., LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |