Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | STAT3 | P40763 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9446097 | 0.84 | CYP4A11 (0.46) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9446074 | 0.83 | CA12 (0.38) | CA1CA2CA12CA9CA14 | |
| SCHEMBL9524459 | 0.80 | CYP4A11 (0.38) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9446039 | 0.80 | CYP4A11 (0.37) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL8567015 | 0.79 | CA1 (0.46) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9720181 | 0.78 | CA12 (0.45) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9088289 | 0.77 | CYP4A11 (0.41) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9446045 | 0.76 | CYP4A11 (0.42) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9446068 | 0.76 | CYP4A11 (0.42) | CYP4A11CA1CA2CA12CA9 | |
| SCHEMBL9446036 | 0.76 | CYP4A11 (0.45) | CYP4A11CA1CA2CA12CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0340905-B1 | Fused pyrimidines, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-4946846-A | ANTITUMOR AGENTS; NONTOXIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-08-07 | — | — | US | disclosed |