Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.48 |
| ▸ | CHRNG | P07510 | 1/20 | 0.48 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | CHRND | Q07001 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL26240498 | 0.85 | SLC6A2 (0.46) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9954568 | 0.83 | CHRNB2 (0.49) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9954465 | 0.83 | SLC6A2 (0.51) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL3761564 | 0.82 | ADORA2A (0.47) | SLC6A2SLC6A3CTSLSMN1; SMN2ATM | |
| SCHEMBL585998 | 0.76 | PARP1 (0.59) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL29923066 | 0.76 | PARP1 (0.59) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL6486485 | 0.75 | SLC6A2 (0.54) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL18068936 | 0.74 | SLC6A2 (0.57) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL15007483 | 0.74 | SLC6A2 (0.57) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL1305879 | 0.74 | SLC6A2 (0.57) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 |
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-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |