Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 2/20 | 0.61 |
| ▸ | GART | P22102 | 6/20 | 0.59 |
| ▸ | DHFR | P00374 | 3/20 | 0.52 |
| ▸ | TYMS | P04818 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12521635 | 1.00 | ATIC (0.61) | ATICGARTDHFRTYMS | |
| SCHEMBL9227067 | 0.97 | ATIC (0.58) | ATICGARTDHFRTYMS | |
| SCHEMBL8997205 | 0.95 | GART (0.60) | ATICGARTDHFRTYMS | |
| SCHEMBL9223778 | 0.92 | GART (0.57) | ATICGARTDHFR | |
| SCHEMBL9227075 | 0.90 | ATIC (0.51) | ATICGARTDHFRTYMS | |
| SCHEMBL9432057 | 0.87 | GART (0.60) | ATICGARTDHFRTYMS | |
| SCHEMBL8997257 | 0.87 | GART (0.61) | ATICGARTDHFR | |
| Lometrexol SCHEMBL12022771 | 0.85 | GART (0.75) | ATICGARTDHFRTYMS | |
| Lometrexol SCHEMBL9045915 | 0.85 | GART (0.75) | ATICGARTDHFRTYMS | |
| SCHEMBL13575748 | 0.85 | ATIC (0.79) | ATICGARTDHFRTYMS |
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 |
|---|---|---|---|---|---|---|---|
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | claimed |
| 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 |