Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11198421 | 0.80 | HRH4 (0.58) | PARP1NPC1RAB9AHTR6PIM1 | |
| SCHEMBL6118505 | 0.79 | HTR3A (0.54) | PARP1NPC1RAB9AHTR6PIM1 | |
| SCHEMBL16363041 | 0.78 | CRBN (0.59) | PARP1HTR6 | |
| SCHEMBL8470893 | 0.77 | HRH4 (0.72) | PARP1HRH4 | |
| SCHEMBL5620745 | 0.76 | PARP1 (0.74) | PARP1 | |
| SCHEMBL6117926 | 0.74 | PKN1 (0.48) | PARP1NPC1RAB9AHTR6PIM1 | |
| SCHEMBL6874969 | 0.74 | PARP1 (0.51) | PARP1HTR6HRH4 | |
| SCHEMBL11205061 | 0.73 | HTR6 (0.60) | PARP1NPC1RAB9AHTR6PIM1 | |
| SCHEMBL5621000 | 0.73 | PARP1 (0.68) | PARP1 | |
| SCHEMBL5309716 | 0.72 | BCHE (0.71) | NPC1RAB9AHTR3AHRH4 |
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-2012068211-A1 | TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |