Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 5/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.45 |
| ▸ | HTR2B | P41595 | 5/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL16622013 | 0.93 | TDP1 (0.50) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL8779101 | 0.93 | TDP1 (0.50) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL7885437 | 0.92 | TDP1 (0.61) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL449187 | 0.89 | TDP1 (0.46) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL16622016 | 0.88 | TDP1 (0.45) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL23363325 | 0.86 | PARP10 (0.49) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL7887145 | 0.84 | BACE1 (0.46) | TDP1L3MBTL1 | |
| SCHEMBL9948162 | 0.84 | TDP1 (0.46) | TDP1L3MBTL1PARP10PARP1CA1 | |
| SCHEMBL30785 | 0.82 | TDP1 (0.54) | TDP1L3MBTL1PARP10PARP1HTR2A | |
| SCHEMBL30482 | 0.81 | TDP1 (0.45) | TDP1L3MBTL1PARP10PARP1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9000184-B2 | Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors | ASTRAZENECA AB (SE) | 2015-04-07 | — | — | US | disclosed |
| US-9000184-B2 | Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors | ASTRAZENECA AB (SE) | 2015-04-07 | — | — | US | disclosed |