Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2659321 | 0.97 | CYP4A11 (0.51) | CYP4A11CYP4F2THRATHRBCA12 | |
| SCHEMBL2211024 | 0.90 | CA1 (0.46) | CYP4A11CYP4F2THRATHRBCA12 | |
| SCHEMBL1561190 | 0.90 | CYP4A11 (0.46) | CYP4A11CYP4F2THRATHRBCA12 | |
| SCHEMBL7855043 | 0.85 | CYP4A11 (0.68) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL1560634 | 0.84 | CYP4A11 (0.69) | CYP4A11CYP4F2THRATHRBCA12 | |
| SCHEMBL8562574 | 0.84 | CYP4A11 (0.49) | CYP4A11CYP4F2THRATHRBCA12 | |
| SCHEMBL8293510 | 0.84 | RARB (0.55) | CYP4A11CYP4F2THRATHRBRARB | |
| SCHEMBL31688879 | 0.84 | CYP4A11 (0.49) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL508555 | 0.83 | CA1 (0.49) | CYP4A11CA12CA1CA2CA9 | |
| SCHEMBL8568072 | 0.83 | CYP4A11 (0.67) | CYP4A11CYP4F2THRATHRBCA12 |
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 8 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-0340905-B1 | Fused pyrimidines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5223620-A | For antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-29 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4946846-A | ANTITUMOR AGENTS; NONTOXIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-07 | — | — | US | disclosed |
| EP-0340905-A1 | Fused pyrimidines, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-11-08 | — | — | EP | disclosed |