Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2091654 | 0.86 | KDM1A (0.48) | PTGS1PTGS2KDM1AADORA2AADORA1 | |
| SCHEMBL9955688 | 0.86 | NPSR1 (0.48) | KDM1AKMT2ANPC1TSHRRAB9A | |
| SCHEMBL2358704 | 0.83 | MPL (0.54) | PTGS1PTGS2KDM1AADORA2AADORA1 | |
| SCHEMBL9954155 | 0.83 | ADORA2A (0.48) | PTGS2ADORA2AADORA1KMT2AMAPT | |
| SCHEMBL30257362 | 0.83 | MPL (0.54) | PTGS1PTGS2KDM1AADORA2AADORA1 | |
| SCHEMBL6810806 | 0.82 | AR (0.51) | KDM1AKMT2AMAPTNPC1NFKB1 | |
| SCHEMBL11754235 | 0.81 | ADORA2A (0.47) | PTGS1PTGS2KDM1AADORA2AADORA1 | |
| SCHEMBL11748801 | 0.78 | ADORA1 (0.53) | PTGS1PTGS2KDM1AADORA2AADORA1 | |
| SCHEMBL3313394 | 0.77 | SCN9A (0.57) | KDM1AKMT2ACFTRNPC1RAB9A | |
| SCHEMBL19176901 | 0.76 | CNR2 (0.42) | PTGS1PTGS2KDM1AKMT2ANPY5R |
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 4 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 |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |