Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 8/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1889790 | 0.84 | PARP1 (0.44) | PARP1PDE3BPDE3AP2RY12DHODH | |
| SCHEMBL1889787 | 0.84 | PARP1 (0.44) | PARP1PDE3BPDE3AP2RY12DHODH | |
| SCHEMBL12662543 | 0.83 | SCN9A (0.44) | PARP1KDR | |
| SCHEMBL12662548 | 0.83 | SCN9A (0.44) | PARP1KDR | |
| SCHEMBL12662463 | 0.81 | PARP1 (0.42) | PARP1DHODHPTGES | |
| SCHEMBL12662102 | 0.81 | PARP1 (0.42) | PARP1PTGES | |
| SCHEMBL17787698 | 0.81 | PARP1 (0.42) | PARP1DHODHPTGES | |
| SCHEMBL12662544 | 0.81 | PARP1 (0.40) | PARP1PDE3BPDE3AP2RY12PTGES | |
| SCHEMBL12662545 | 0.81 | PARP1 (0.40) | PARP1PDE3BPDE3AP2RY12PTGES | |
| SCHEMBL12662087 | 0.80 | P2RX1 (0.42) | PARP1PTGES |
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 |
|---|---|---|---|---|---|---|---|
| EP-2315763-B1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-06-01 | — | — | EP | disclosed |