Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7430992 | 0.84 | PARP1 (0.49) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL4604450 | 0.81 | KDM4E (0.40) | PARP1TYMSKDM4EGAAHPGD | |
| Hydrochloric Acid SCHEMBL4603481 | 0.80 | KDM4E (0.39) | PARP1DRD2DRD3FAAHCNR1 | |
| SCHEMBL7432212 | 0.79 | PARP1 (0.53) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL29907232 | 0.79 | DRD2 (0.54) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL12894974 | 0.79 | DRD2 (0.54) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL7519272 | 0.78 | PARP1 (0.59) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL31588180 | 0.77 | DRD2 (0.52) | PARP1DRD2DRD3DRD4BRD4 | |
| SCHEMBL31529624 | 0.77 | PARP1 (0.59) | PARP1KDM4EGAAHPGDRAB9A | |
| SCHEMBL534252 | 0.77 | PARP1 (0.59) | PARP1KDM4EGAAHPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1943229-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048842-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |