Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9446036 | 0.86 | CYP4A11 (0.45) | CYP4A11CYP4F2HDAC1HDAC6L3MBTL1 | |
| SCHEMBL9088289 | 0.82 | CYP4A11 (0.41) | CYP4A11CYP4F2CTSSCTSKHDAC1 | |
| SCHEMBL8997380 | 0.81 | CYP4A11 (0.47) | CYP4A11CYP4F2HDAC1HDAC6L3MBTL1 | |
| SCHEMBL9086571 | 0.79 | CYP4A11 (0.42) | CYP4A11CYP4F2CTSSCTSKHDAC1 | |
| SCHEMBL9085713 | 0.77 | CA12 (0.39) | CYP4A11CYP4F2CTSSCTSKHDAC1 | |
| SCHEMBL9524459 | 0.76 | CYP4A11 (0.38) | CYP4A11CYP4F2CTSSCTSKHDAC1 | |
| SCHEMBL8568070 | 0.76 | CYP4A11 (0.45) | CYP4A11CYP4F2MMP3MMP1MMP9 | |
| SCHEMBL8982437 | 0.73 | CYP4A11 (0.54) | CYP4A11CYP4F2MMP3CA12CA1 | |
| SCHEMBL7855043 | 0.72 | CYP4A11 (0.68) | CYP4A11CYP4F2CA12CA1CA2 | |
| SCHEMBL9446097 | 0.72 | CYP4A11 (0.46) | CYP4A11CYP4F2HDAC1HDAC6MMP3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0334636-B1 | Pyrrolopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5539113-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| US-5296600-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| US-5106974-A | Antitumor and -carcinogenic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0334636-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-27 | — | — | EP | disclosed |