Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5317039 | 0.93 | ITK (0.46) | ITKHDAC6HRH3BCHECNR2 | |
| SCHEMBL5316323 | 0.87 | ITK (0.48) | ITKHDAC6HRH3CNR2CCR5 | |
| SCHEMBL5318216 | 0.81 | ITK (0.43) | ITKBCHECNR2OPRM1KDM4E | |
| SCHEMBL5318329 | 0.78 | ITK (0.51) | ITKHDAC6HRH3BCHECNR2 | |
| SCHEMBL5320022 | 0.77 | ADORA2A (0.49) | ITKHDAC6HRH3CNR2 | |
| SCHEMBL5318236 | 0.74 | ITK (0.49) | ITKHRH3BCHECNR2OPRM1 | |
| SCHEMBL5315360 | 0.73 | ITK (0.43) | ITKCNR2 | |
| SCHEMBL5319079 | 0.73 | ITK (0.49) | ITKHRH3CNR2 | |
| SCHEMBL4258690 | 0.73 | HDAC6 (0.53) | HDAC6KDM4EHTT | |
| SCHEMBL5315592 | 0.72 | ITK (0.53) | ITK |
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-2007069053-A1 | BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR | PFIZER PRODUCTS INC. (US) | 2007-06-21 | — | — | WO | claimed |
| WO-2007069053-A1 | BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR | PFIZER PRODUCTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |