Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30090423 | 0.91 | PDK2 (0.44) | PARP1PARP2PARP3PDK2LMNA | |
| Trifluoroacetic Acid SCHEMBL25274822 | 0.91 | PDK2 (0.44) | PARP1PARP2PARP3PDK2LMNA | |
| SCHEMBL24038599 | 0.88 | PARP1 (0.47) | PARP1PARP2PARP3PDK2ASIC3 | |
| Trifluoroacetic Acid SCHEMBL29115435 | 0.80 | PDE3B (0.46) | PARP1PARP2PARP3 | |
| Trifluoroacetic Acid SCHEMBL29494668 | 0.80 | PDE3B (0.46) | PARP1PARP2PARP3 | |
| SCHEMBL24038913 | 0.77 | NOTUM (0.47) | PDK2HTR6LMNAAVPR2 | |
| Trifluoroacetic Acid SCHEMBL29115458 | 0.75 | PDE3B (0.46) | PARP1PARP2PARP3HTR6 | |
| Trifluoroacetic Acid SCHEMBL2266442 | 0.74 | PARP1 (0.87) | PARP1PARP2PARP3 | |
| Trifluoroacetic Acid SCHEMBL7254528 | 0.73 | DRD2 (0.49) | ASIC3 | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL29710285 | 0.73 | PNMT (0.66) | ASIC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551831-A | CYP11A1 inhibitor | 奥赖恩公司 | 2022-12-30 | — | — | CN | disclosed |