Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 3/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23717050 | 0.98 | MGLL (0.55) | MGLLPARP1MAPTHTR2BMEN1 | |
| SCHEMBL28507693 | 0.80 | PARP1 (0.56) | PARP1MEN1KMT2AALDH1A1TNKS | |
| SCHEMBL28501122 | 0.80 | PARP1 (0.58) | PARP1KMT2AALDH1A1TNKSTNKS2 | |
| SCHEMBL29499006 | 0.79 | PARP1 (0.55) | MGLLPARP1TNKSTNKS2 | |
| SCHEMBL28113245 | 0.79 | PARP1 (0.55) | MGLLPARP1TNKSTNKS2 | |
| SCHEMBL16404341 | 0.78 | PARP1 (0.62) | PARP1MAPTKMT2AALDH1A1TNKS | |
| SCHEMBL28004053 | 0.78 | PARP1 (0.62) | PARP1MAPTKMT2AALDH1A1TNKS | |
| SCHEMBL23717047 | 0.78 | MGLL (0.57) | MGLLPARP1MEN1KMT2AALDH1A1 | |
| SCHEMBL28499182 | 0.73 | ALDH1A1 (0.51) | PARP1MAPTMEN1KMT2AALDH1A1 | |
| Bicarbonate SCHEMBL11467376 | 0.71 | SRD5A2 (0.57) | MGLLKMT2ASMN1; SMN2 |
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-2019072785-A1 | PIPERAZINE DERIVATIVES AS MAGL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-04-18 | — | — | WO | disclosed |