Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9049464 | 1.00 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2315180 | 0.85 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1NPSR1GAARXFP1 | |
| SCHEMBL27711822 | 0.85 | TAS1R3 (0.50) | ALDH1A1L3MBTL1NPSR1GAARXFP1 | |
| SCHEMBL16898289 | 0.77 | L3MBTL1 (0.55) | CA12CA1CA2CA9L3MBTL1 | |
| SCHEMBL16898288 | 0.77 | L3MBTL1 (0.55) | CA12CA1CA2CA9L3MBTL1 | |
| SCHEMBL2578586 | 0.76 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1NPSR1GAARXFP1 | |
| SCHEMBL2315185 | 0.76 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1NPSR1GAARXFP1 | |
| SCHEMBL23553061 | 0.76 | CA12 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9381370 | 0.76 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9381373 | 0.76 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 |
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 8 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 |
| EP-0343801-B1 | N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives | UNIV PRINCETON (US) | 1994-08-03 | — | — | EP | 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 |
| EP-0343801-A2 | N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1989-11-29 | — | — | EP | disclosed |
| US-4882334-A | ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1989-11-21 | — | — | US | disclosed |