Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | UGCG | Q16739 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.42 |
| ▸ | S100A4 | P26447 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033749 | 0.95 | PARP1 (0.47) | PARP1GRM2ACHENR1I2UGCG | |
| SCHEMBL4024231 | 0.94 | PARP1 (0.46) | PARP1GRM2ACHENR1I2UGCG | |
| SCHEMBL4033048 | 0.92 | PARP1 (0.46) | PARP1GRM2ACHENR1I2UGCG | |
| SCHEMBL29695767 | 0.80 | ACHE (0.44) | PARP1ACHEPARP2S100A4KMT2A | |
| SCHEMBL4029942 | 0.80 | LMNA (0.56) | PARP1ACHEPARP2KMT2AMEN1 | |
| SCHEMBL14348205 | 0.78 | PARP1 (0.57) | PARP1ACHEPARP2KMT2AMAPT | |
| SCHEMBL2333872 | 0.78 | PARP1 (0.48) | PARP1ACHES100A4KMT2AMAPT | |
| SCHEMBL4209630 | 0.78 | ACHE (0.43) | PARP1ACHEPARP2S100A4KMT2A | |
| SCHEMBL4026308 | 0.77 | PARP1 (0.48) | PARP1ACHEPARP2KMT2AMEN1 | |
| SCHEMBL24469636 | 0.77 | PARP1 (0.56) | PARP1NR1I2UGCGPARP2CRBN |
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-2022115301-A1 | MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-06-02 | — | — | WO | disclosed |