Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 5/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9088289 | 0.96 | CYP4A11 (0.41) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL9085713 | 0.92 | CA12 (0.39) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL27319129 | 0.91 | ALDH1A1 (0.41) | CYP4A11CYP4F2CTSSCTSKRARB | |
| SCHEMBL8982437 | 0.85 | CYP4A11 (0.54) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL9446068 | 0.83 | CYP4A11 (0.42) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL9087966 | 0.82 | CA12 (0.41) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL27323755 | 0.82 | ALDH1A1 (0.43) | CYP4A11CYP4F2CTSSCTSKHDAC1 | |
| SCHEMBL9524459 | 0.81 | CYP4A11 (0.38) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL9851228 | 0.79 | SLC7A5 (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8997190 | 0.79 | CYP4A11 (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| US-5496946-A | Production of pyrrolopyrimidines and intermediates therefor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5349064-A | Production of pyrrolopyrimidines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0402903-A1 | Production of pyrrolopyrimidines and intermediates therefor | Takeda Chemical Industries, Ltd. (JP) | 1990-12-19 | — | — | EP | disclosed |