Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30645249 | 0.77 | CDC25B (0.47) | CES1CDC25BCDC25APTPN1PTPRC | |
| SCHEMBL7354968 | 0.74 | MAOA (0.50) | CES1CES2CDC25BCDC25APTPN1 | |
| SCHEMBL27358025 | 0.74 | FGFR1 (0.46) | CDC25BCDC25APTPN1PTPRCMAPT | |
| SCHEMBL8102488 | 0.73 | CDC25B (0.43) | CES1CES2CDC25BCDC25APTPN1 | |
| SCHEMBL11409080 | 0.72 | CDC25B (0.50) | CES1CES2CDC25BCDC25APTPN1 | |
| SCHEMBL28211937 | 0.69 | MAOA (0.49) | CES1CES2CDC25BCDC25APTPN1 | |
| SCHEMBL8108519 | 0.69 | MAPT (0.51) | CDC25BCDC25AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL31127006 | 0.68 | CES1 (0.41) | CES1CDC25BCDC25APTPN1PTPRC | |
| SCHEMBL9460233 | 0.66 | CDC25A (0.38) | CES1CES2CDC25BCDC25AMAPT | |
| SCHEMBL27942009 | 0.66 | CDC25B (0.52) | CES1CES2CDC25BCDC25APTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1022322-C | Fused pyrazole 3-oxo-propionitrile derivatives | ERBA CARLO SPA (IT) | 1993-10-06 | — | — | CN | disclosed |
| CN-1038642-A | The preparation method of condensed pyrazole 3-oxo-propanenitrile derivatives | ERBA CARLO SPA (IT) | 1990-01-10 | — | — | CN | disclosed |