Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL4604974 | 0.84 | PARP1 (0.46) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL7432212 | 0.83 | PARP1 (0.53) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL7519272 | 0.81 | PARP1 (0.59) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL25475153 | 0.79 | PARP1 (0.47) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL10140 | 0.79 | BRD4 (0.60) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL30805278 | 0.78 | PARP1 (0.48) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL536589 | 0.75 | PARP1 (0.64) | PARP1 | |
| Nitric Acid SCHEMBL14695919 | 0.75 | BRD4 (0.50) | PARP1DRD2DRD3DRD4BRD4 | |
| Nitric Acid SCHEMBL14695921 | 0.75 | BRD4 (0.50) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL23123499 | 0.74 | DRD2 (0.46) | PARP1DRD2DRD3DRD4BRD4 |
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-2001051484-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2001-07-19 | — | — | WO | disclosed |