Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9045503 | 0.95 | CYP1A2 (0.33) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9777804 | 0.86 | ADORA1 (0.34) | CA1CA2ADORA1 | |
| SCHEMBL9047678 | 0.85 | MAPK14 (0.34) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9047978 | 0.83 | KMT2A (0.36) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9047324 | 0.82 | KMT2A (0.37) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9044865 | 0.82 | KMT2A (0.37) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9045359 | 0.82 | MAPK14 (0.36) | — | |
| SCHEMBL9044092 | 0.81 | MAPK14 (0.32) | — | |
| SCHEMBL9047706 | 0.80 | KMT2A (0.34) | CA12CA1CA2CA9ADORA1 | |
| SCHEMBL9047700 | 0.80 | KMT2A (0.34) | CA12CA1CA2CA9ADORA1 |
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-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 |
| 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 |