Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570601 | 0.87 | HDAC8 (0.43) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL27378170 | 0.86 | TSHR (0.49) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL7428972 | 0.82 | CA12 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL19266188 | 0.82 | HDAC8 (0.44) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL8567800 | 0.81 | FFAR1 (0.48) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL19266128 | 0.79 | CA12 (0.44) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL2210344 | 0.79 | CA12 (0.46) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL8563525 | 0.78 | F2 (0.48) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL6367470 | 0.78 | HDAC8 (0.40) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL6367420 | 0.77 | TSHR (0.47) | CA12CA1CA2CA9CA14 |
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 |