Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 3/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8564883 | 0.81 | CA12 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8567733 | 0.80 | CRHBP (0.41) | CYP4A11CA12CA1CA2CA9 | |
| SCHEMBL8569504 | 0.80 | NR3C2 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8569300 | 0.80 | ATIC (0.33) | NR3C2 | |
| SCHEMBL8565003 | 0.80 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8567809 | 0.79 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8567806 | 0.79 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8563771 | 0.74 | TLR7 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9001785 | 0.73 | TLR7 (0.44) | CYP4A11CA12CA1CA2CA9 | |
| SCHEMBL31688879 | 0.71 | CYP4A11 (0.49) | CYP4A11CA12CA1CA2CA9 |
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 |