Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.73 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | PHGDH | O43175 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27272113 | 0.87 | KMT2A (0.69) | KMT2AGAAHSD11B1PHGDHCA2 | |
| SCHEMBL2178479 | 0.86 | KMT2A (0.78) | KMT2AGAAHSD11B1CA2CA9 | |
| SCHEMBL23049758 | 0.86 | KMT2A (0.68) | KMT2AGAAHSD11B1PHGDHCA2 | |
| SCHEMBL23049909 | 0.86 | KMT2A (0.55) | KMT2AGAAHSD11B1PHGDHCA2 | |
| SCHEMBL18503840 | 0.85 | KMT2A (1.00) | KMT2AGAAHSD11B1PHGDHCA2 | |
| SCHEMBL23049753 | 0.85 | KMT2A (0.53) | KMT2AGAAPHGDHCA2ALDH1A1 | |
| SCHEMBL23049646 | 0.84 | KMT2A (0.54) | KMT2AGAAPHGDHCA2CA9 | |
| SCHEMBL23049630 | 0.84 | KMT2A (0.54) | KMT2AGAAPHGDHCA2CA9 | |
| SCHEMBL23049717 | 0.84 | KMT2A (0.54) | KMT2AGAAHSD11B1PHGDHCA2 | |
| SCHEMBL23703133 | 0.83 | KMT2A (0.73) | KMT2AGAAHSD11B1PHGDHCA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1018548-B | CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1992-10-07 | — | — | CN | claimed |
| EP-3596064-B1 | TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2021-03-03 | — | — | EP | disclosed |
| US-4326066-A | Triazolyl coumarin compounds, processes for their preparation and their use as whiteners and laser dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |