Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.45 |
| ▸ | TYMS | P04818 | 2/20 | 0.45 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9044792 | 0.94 | TYMS (0.51) | DHFRTYMSNAMPTLMNACYP1A2 | |
| SCHEMBL9044536 | 0.91 | NAMPT (0.51) | DHFRTYMSNAMPTLMNACYP1A2 | |
| SCHEMBL9045691 | 0.86 | TYMS (0.48) | DHFRTYMSNAMPT | |
| SCHEMBL7843188 | 0.84 | NAMPT (0.57) | DHFRTYMSNAMPTLMNACYP1A2 | |
| SCHEMBL14329878 | 0.84 | DHFR (0.51) | DHFRTYMSNAMPTCYP1A2CYP3A4 | |
| SCHEMBL9039220 | 0.82 | DHFR (0.57) | DHFRTYMS | |
| SCHEMBL9039215 | 0.82 | DHFR (0.57) | DHFRTYMS | |
| SCHEMBL9844826 | 0.81 | CYP4A11 (0.49) | DHFRTYMSLMNACYP1A2CYP3A4 | |
| SCHEMBL9085311 | 0.81 | NAMPT (0.53) | DHFRTYMSNAMPT | |
| SCHEMBL9046718 | 0.79 | TYMS (0.54) | DHFRTYMSNAMPT |
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 |