Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184745 | 0.88 | ACHE (0.56) | AKR1C3AKR1C2HTR7ACHEAPP | |
| SCHEMBL16542335 | 0.86 | ACHE (0.58) | AKR1C3AKR1C2ACHEHPGDCYP3A4 | |
| SCHEMBL13069497 | 0.85 | ACHE (0.52) | AKR1C3AKR1C2S1PR1HTR7ACHE | |
| SCHEMBL277907 | 0.85 | HTR7 (0.59) | AKR1C3AKR1C2HTR7ACHEAPP | |
| SCHEMBL4231404 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL27537379 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL27533596 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL27555994 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL321430 | 0.81 | CA1 (0.55) | AKR1C3AKR1C2S1PR1HTR7APP | |
| SCHEMBL3958057 | 0.81 | ACHE (0.52) | S1PR1HTR7ACHEHPGDCYP3A4 |
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-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |