Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9446068 | 0.86 | CYP4A11 (0.42) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL14011593 | 0.83 | CYP4A11 (0.47) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL7855043 | 0.81 | CYP4A11 (0.68) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL7428977 | 0.81 | CYP4A11 (0.45) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL4128407 | 0.81 | CA12 (0.51) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL8570437 | 0.80 | CYP4A11 (0.49) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL1560634 | 0.80 | CYP4A11 (0.69) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL2659321 | 0.80 | CYP4A11 (0.51) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL8293510 | 0.80 | RARB (0.55) | CYP4A11CYP4F2RARB | |
| SCHEMBL31688879 | 0.80 | CYP4A11 (0.49) | CYP4A11CYP4F2CA12CA1CA2 |
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 3 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-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 |