Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908677 | 0.90 | KMT2A (0.58) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908674 | 0.88 | KMT2A (0.70) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908683 | 0.86 | KMT2A (0.58) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL10435326 | 0.83 | MAPT (0.75) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908615 | 0.82 | KMT2A (0.63) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22909700 | 0.82 | GAA (0.60) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908712 | 0.80 | KMT2A (0.60) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908696 | 0.79 | GAA (0.62) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22908672 | 0.79 | PDCD1 (0.58) | KMT2AMAPTMEN1LMNAGAA | |
| SCHEMBL22909492 | 0.79 | CD274 (0.64) | KMT2AMAPTMEN1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3766544-A1 | NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS | Centre Hospitalier Regional Universitaire de Lille (FR) | 2021-01-20 | — | — | EP | disclosed |