Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | MARS1 | P56192 | 1/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4636950 | 0.90 | ALDH1A1 (0.40) | ALDH1A1NR3C2PTPN11PARP1GRM2 | |
| SCHEMBL20022423 | 0.74 | HDAC9 (0.41) | ALDH1A1NR3C2PARP1GRIN2BGRIN1 | |
| SCHEMBL3946970 | 0.73 | ALDH1A1 (0.52) | ALDH1A1NOTUM | |
| SCHEMBL30108354 | 0.73 | ALDH1A1 (0.52) | ALDH1A1NOTUM | |
| SCHEMBL30582191 | 0.73 | GRM2 (0.41) | ALDH1A1NR3C2GRM2P2RX7MARS1 | |
| SCHEMBL6506908 | 0.73 | ITK (0.42) | ALDH1A1NR3C2PARP1MEN1KMT2A | |
| SCHEMBL6506387 | 0.72 | ITK (0.41) | ALDH1A1NR3C2MEN1KMT2A | |
| SCHEMBL167526 | 0.72 | AURKA (0.42) | ALDH1A1P2RX7MARS1GRM5MEN1 | |
| SCHEMBL168945 | 0.72 | AURKA (0.42) | ALDH1A1P2RX7GRM5 | |
| SCHEMBL27724732 | 0.71 | MARS1 (0.46) | ALDH1A1NR3C2GRM2MARS1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101331118-A | Pyrazoles useful in the treatment of inflammation | BIOLIPOX AB (SE) | 2008-12-24 | — | — | CN | disclosed |