Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.51 |
| ▸ | ATIC | P31939 | 3/20 | 0.49 |
| ▸ | GART | P22102 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997161 | 0.88 | DHFR (0.56) | DHFRATICGART | |
| SCHEMBL8997201 | 0.87 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL9397723 | 0.86 | DHFR (0.53) | DHFRATICGART | |
| SCHEMBL9039610 | 0.84 | DHFR (0.50) | DHFRATICGART | |
| SCHEMBL8997146 | 0.84 | ATIC (0.50) | DHFRATICGART | |
| SCHEMBL9041233 | 0.83 | DHFR (0.49) | DHFRATICGART | |
| SCHEMBL8997257 | 0.81 | GART (0.61) | DHFRATICGART | |
| SCHEMBL9758306 | 0.79 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL8997170 | 0.79 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL9088274 | 0.79 | ATIC (0.51) | DHFRATICGART |
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 5 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-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 |