Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL9956479 | 0.83 | SLC6A2 (0.48) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL26240639 | 0.82 | CTSL (0.50) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9954465 | 0.82 | SLC6A2 (0.51) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3761564 | 0.80 | ADORA2A (0.47) | SLC6A2SLC6A3CES2CES1CTSL | |
| SCHEMBL27032802 | 0.77 | BCL2L1 (0.44) | SLC6A2SLC6A3CES2CES1CTSL | |
| SCHEMBL8015553 | 0.77 | CES2 (0.61) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL15863621 | 0.76 | CES2 (0.49) | CES2CES1RAB9AALDH1A1 | |
| SCHEMBL15007480 | 0.75 | CES2 (0.64) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2599161 | 0.75 | CES2 (0.64) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5883596 | 0.75 | CES2 (0.59) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 |
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 |