Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30312068 | 1.00 | PARP1 (0.40) | PARP1PARP3NISCHMAOAMAOB | |
| SCHEMBL217432 | 1.00 | PARP1 (0.40) | PARP1PARP3NISCHMAOAMAOB | |
| SCHEMBL14336651 | 0.84 | GAA (0.39) | PARP1KMT2ACYP19A1 | |
| SCHEMBL14336465 | 0.80 | PARP1 (0.34) | PARP1PARP3 | |
| SCHEMBL14336724 | 0.80 | PARP1 (0.33) | PARP1CDC7 | |
| SCHEMBL29960421 | 0.75 | HTR2A (0.55) | PARP1PARP3MAOACA12CA9 | |
| SCHEMBL7142349 | 0.75 | LMNA (0.39) | PARP1NISCHMAOAMAOBATM | |
| SCHEMBL14336530 | 0.74 | HTT (0.44) | MEN1LMNAKMT2A | |
| SCHEMBL14336466 | 0.72 | PHGDH (0.40) | PARP1LMNAMAPTKMT2A | |
| SCHEMBL7144469 | 0.72 | NISCH (0.40) | PARP1NISCHMAOAMAOBATM |
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 2 patents. 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 |
| WO-2022190064-A1 | METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME | VEXO PHARMACEUTICALS DMCC (AE) | 2022-09-15 | — | — | WO | disclosed |