Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.51 |
| ▸ | DHFR | P00374 | 4/20 | 0.51 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.40 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.40 |
| ▸ | GART | P22102 | 1/20 | 0.40 |
| ▸ | ATIC | P31939 | 1/20 | 0.40 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047680 | 0.94 | DHFR (0.45) | TYMSDHFRNAMPTLMNACYP1A2 | |
| SCHEMBL7843188 | 0.90 | NAMPT (0.57) | TYMSDHFRNAMPTLMNACYP1A2 | |
| SCHEMBL14329878 | 0.90 | DHFR (0.51) | TYMSDHFRNAMPTCYP1A2CYP3A4 | |
| SCHEMBL9046718 | 0.85 | TYMS (0.54) | TYMSDHFRNAMPTFOLR2FOLR1 | |
| SCHEMBL15247798 | 0.84 | NAMPT (0.52) | TYMSDHFRNAMPTFOLR2FOLR1 | |
| SCHEMBL9044536 | 0.84 | NAMPT (0.51) | TYMSDHFRNAMPTLMNACYP1A2 | |
| SCHEMBL10306798 | 0.83 | DHFR (0.48) | TYMSDHFRNAMPTFOLR2FOLR1 | |
| SCHEMBL9042447 | 0.82 | DHFR (0.64) | TYMSDHFRNAMPTFOLR2FOLR1 | |
| SCHEMBL9042429 | 0.82 | DHFR (0.64) | TYMSDHFRNAMPTFOLR2FOLR1 | |
| SCHEMBL10306795 | 0.79 | TYMS (0.58) | TYMSDHFRNAMPTFOLR2FOLR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0549886-B1 | Process for the preparation of pyrrolo[2,3-d]pyrimidines | UNIV PRINCETON (US) | 1996-10-30 | — | — | EP | disclosed |
| US-5254687-A | Process for the preparation of pyrrolo[2,3-d]pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0549886-A1 | Process for the preparation of pyrrolo[2,3-d]pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-07-07 | — | — | EP | disclosed |