Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423717 | 0.89 | GAA (0.43) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL6951753 | 0.86 | SHMT2 (0.52) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL8425294 | 0.81 | GAA (0.45) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8427522 | 0.81 | GAA (0.46) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8428145 | 0.80 | GAA (0.46) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8428093 | 0.79 | GAA (0.47) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8424073 | 0.77 | GAA (0.43) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8425391 | 0.77 | GAA (0.43) | ALDH1A1GAAL3MBTL1SHMT2KMT2A | |
| SCHEMBL8381514 | 0.76 | GAA (0.69) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL8425478 | 0.76 | CD274 (0.48) | ALDH1A1GAAL3MBTL1SHMT2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869516-A | 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-02-09 | — | — | US | disclosed |