Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 5/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17145360 | 0.84 | MGLL (0.33) | MGLLGSK3AGSK3BALDH1A1NPSR1 | |
| SCHEMBL23760558 | 0.81 | GSK3A (0.31) | MGLLGSK3AGSK3B | |
| SCHEMBL17924887 | 0.76 | MGLL (0.38) | MGLLGSK3AGSK3BALDH1A1NPSR1 | |
| SCHEMBL18461453 | 0.75 | MGLL (0.41) | MGLLGSK3AGSK3BHSP90AA1ALDH1A1 | |
| SCHEMBL19882433 | 0.72 | HPGD (0.40) | HSP90AA1HPGDPKM | |
| SCHEMBL11509113 | 0.71 | MGLL (0.38) | MGLLGSK3AGSK3BHSP90AA1ALDH1A1 | |
| SCHEMBL2037967 | 0.71 | MGLL (0.33) | MGLLGSK3AGSK3BALDH1A1NPSR1 | |
| SCHEMBL18626109 | 0.71 | ALDH1A1 (0.32) | MGLLGSK3AGSK3BHSP90AA1ALDH1A1 | |
| SCHEMBL8097847 | 0.70 | MGLL (0.41) | MGLLGSK3AGSK3BHSP90AA1ALDH1A1 | |
| SCHEMBL709031 | 0.70 | MGLL (0.41) | MGLLGSK3AGSK3BHSP90AA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558127-B1 | TARGETED PYRROLOBENZODIAZEPINE CONJUGATES | SEAGEN INC (US) | 2022-01-19 | — | — | EP | disclosed |