Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | CASP6 | P55212 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22909304 | 0.88 | KMT2A (0.59) | CYP3A4MAPTKMT2AMEN1LMNA | |
| SCHEMBL1661307 | 0.79 | MEN1 (0.46) | MAPTKMT2AMEN1CD274PDCD1 | |
| SCHEMBL22909301 | 0.76 | KMT2A (0.62) | MAPTKMT2AMEN1LMNACD274 | |
| SCHEMBL11895290 | 0.74 | MEN1 (0.54) | CYP3A4MAPTKMT2AMEN1CD274 | |
| SCHEMBL11255060 | 0.74 | MAPT (0.41) | CYP3A4NFKB1PMP22MAPTKMT2A | |
| SCHEMBL22908672 | 0.71 | PDCD1 (0.58) | MAPTKMT2AMEN1LMNACD274 | |
| SCHEMBL10435326 | 0.69 | MAPT (0.75) | MAPTKMT2AMEN1LMNACD274 | |
| SCHEMBL10381309 | 0.68 | MAOB (0.60) | MAPTKMT2AMEN1LMNACD274 | |
| SCHEMBL16013589 | 0.67 | PLA2G7 (0.49) | CYP3A4NFKB1PMP22MAPTKMT2A | |
| SCHEMBL22908674 | 0.66 | KMT2A (0.70) | MAPTKMT2AMEN1LMNACD274 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009384-A1 | NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS | CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) | 2021-01-21 | — | — | WO | disclosed |