Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 7/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3594200 | 1.00 | MAP3K14 (0.41) | MAP3K14MAOBMAOAGRM5NPC1 | |
| SCHEMBL29960673 | 0.75 | PARP1 (0.41) | MAP3K14 | |
| SCHEMBL3588169 | 0.74 | CYP2A6 (0.42) | MAOBMAOAALDH1A1HPGD | |
| SCHEMBL29960815 | 0.71 | MAP3K14 (0.39) | MAP3K14NPC1RAB9APKMTSHR | |
| SCHEMBL7013965 | 0.70 | HTR3B (0.48) | MAOBMAOA | |
| SCHEMBL830902 | 0.70 | HTR3B (0.48) | MAOBMAOA | |
| Chromanone SCHEMBL29384996 | 0.67 | MAOB (0.56) | MAOBMAOAGRM5NPC1RAB9A | |
| Chromanone SCHEMBL28205525 | 0.67 | MAOB (0.56) | MAOBMAOAGRM5NPC1RAB9A | |
| Chromanone SCHEMBL28794 | 0.67 | MAOB (0.56) | MAOBMAOAGRM5NPC1RAB9A | |
| SCHEMBL28646514 | 0.67 | KDM4E (0.41) | TSHRALDH1A1HPGDMAPT |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |