Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 5/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 11/20 | 0.37 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL2212755 | 0.85 | PARP1 (0.45) | PARP1HTR2CHTR2BHTR2AC5AR1 | |
| SCHEMBL7831850 | 0.83 | PARP1 (0.35) | PARP1 | |
| SCHEMBL27460495 | 0.81 | PARP1 (0.33) | PARP1 | |
| SCHEMBL3964411 | 0.77 | JAK2 (0.36) | HTR2CHTR2BHTR2A | |
| SCHEMBL3279312 | 0.76 | PARP1 (0.49) | PARP1HTR2CHTR2BHTR2A | |
| SCHEMBL13899830 | 0.73 | PARP1 (0.48) | PARP1HTR2CHTR2BHTR2AC5AR1 | |
| SCHEMBL15006825 | 0.73 | HTR2C (0.48) | PARP1HTR2CHTR2BHTR2AC5AR1 | |
| SCHEMBL3430569 | 0.71 | HDAC6 (0.34) | — | |
| SCHEMBL9082862 | 0.71 | HTR2C (0.46) | PARP1HTR2CHTR2BHTR2A | |
| Trifluoroacetic Acid SCHEMBL3085405 | 0.71 | PARP1 (0.52) | PARP1HTR2CHTR2BHTR2A |
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-2008070014-A2 | BIARYL KETONE-SUBSTITUTED PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008060568-A2 | AMIDE-SUBSTITUTED ARYL PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |