Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 7/20 | 0.48 |
| ▸ | FOLR2 | P14207 | 2/20 | 0.48 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.48 |
| ▸ | DHFR | P00374 | 7/20 | 0.44 |
| ▸ | SHMT1 | P34896 | 5/20 | 0.42 |
| ▸ | SHMT2 | P34897 | 5/20 | 0.42 |
| ▸ | GART | P22102 | 7/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL573199 | 0.88 | DHFR (0.52) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9044516 | 0.84 | ATIC (0.52) | ATICFOLR2FOLR1SHMT1SHMT2 | |
| SCHEMBL9046824 | 0.84 | ATIC (0.55) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9043298 | 0.82 | FOLR1 (0.48) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9044131 | 0.82 | GART (0.50) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9044214 | 0.82 | DHFR (0.46) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9045385 | 0.81 | FOLR2 (0.51) | ATICFOLR2FOLR1DHFRSHMT1 | |
| SCHEMBL9047000 | 0.80 | GART (0.43) | ATICDHFRSHMT1SHMT2GART | |
| SCHEMBL9045220 | 0.80 | GART (0.44) | ATICSHMT1SHMT2GARTTYMS | |
| SCHEMBL9045713 | 0.80 | GART (0.44) | ATICSHMT1SHMT2GARTTYMS |
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-5344932-A | N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives | TRUSTEES OF PRINCETON UNIVERSITY (US) | 1994-09-06 | — | — | US | disclosed |
| US-5028608-A | Antineoplastic Agents | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-07-02 | — | — | US | disclosed |
| EP-0432677-A1 | N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-06-19 | — | — | EP | disclosed |