Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9045449 | 0.90 | YTHDC1 (0.39) | KDM4EADORA1SMN1; SMN2LMNANPC1 | |
| SCHEMBL9047416 | 0.89 | ADORA1 (0.38) | NR3C2MAPTADORA1ADORA3POLB | |
| SCHEMBL9044712 | 0.88 | ADORA1 (0.38) | MAPTADORA1ADORA3SMN1; SMN2LMNA | |
| SCHEMBL9045540 | 0.88 | CSNK1D (0.42) | NR3C2ADORA1LMNA | |
| SCHEMBL9046321 | 0.88 | ADORA1 (0.46) | GAAKDM4EADORA1POLBSMN1; SMN2 | |
| SCHEMBL9046606 | 0.82 | NPC1 (0.42) | NR3C2ADORA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9045922 | 0.80 | TAS1R3 (0.35) | GAAKDM4ERAB9A | |
| SCHEMBL9471720 | 0.79 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1GAAMAPTKDM4E | |
| SCHEMBL9043718 | 0.79 | ATIC (0.43) | — | |
| SCHEMBL9045602 | 0.77 | ADORA1 (0.36) | HSP90AA1MAPTKDM4EADORA1ADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0432677-B1 | N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives | UNIV PRINCETON (US) | 1996-03-06 | — | — | EP | disclosed |
| 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-5248775-A | Pyrrolo(2,3-d)pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-09-28 | — | — | 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 |