Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 3/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960673 | 0.84 | PARP1 (0.41) | PARP1PARP3PIM1PIM3PIM2 | |
| SCHEMBL22248076 | 0.71 | PARP1 (0.46) | PARP1CYP19A1PARP3PIM1CSNK1A1 | |
| SCHEMBL29802419 | 0.68 | PARP1 (0.40) | PARP1CYP19A1MAOBPARP3CA12 | |
| SCHEMBL30312068 | 0.68 | PARP1 (0.40) | PARP1CYP19A1MAOBPARP3CA12 | |
| SCHEMBL217432 | 0.68 | PARP1 (0.40) | PARP1CYP19A1MAOBPARP3CA12 | |
| SCHEMBL6854090 | 0.67 | PARP1 (0.56) | PARP1 | |
| SCHEMBL31037184 | 0.67 | PARP1 (0.56) | PARP1 | |
| Hydrochloric Acid SCHEMBL2456613 | 0.66 | PARP1 (0.55) | PARP1 | |
| Hydrochloric Acid SCHEMBL29960871 | 0.66 | OXTR (0.41) | — | |
| SCHEMBL16353840 | 0.65 | HTR2C (0.45) | PARP1MAOB |
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 |