Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9955303 | 0.80 | ADORA2A (0.41) | HTR7GPBAR1ESR2NOTUMADORA2A | |
| SCHEMBL6898024 | 0.79 | MAPT (0.41) | HTR7ALDH1A1GPBAR1NPC1RAB9A | |
| SCHEMBL4511405 | 0.78 | PTGS1 (0.46) | PTGS1PTGS2ALDH1A1RAB9ATP53 | |
| SCHEMBL9955323 | 0.77 | ESR2 (0.44) | PTGS1PTGS2ALDH1A1CYP1A2NPC1 | |
| SCHEMBL5538640 | 0.71 | PTGS1 (0.53) | PTGS1PTGS2ALDH1A1CYP1A2GPBAR1 | |
| SCHEMBL5544010 | 0.71 | PTGS1 (0.53) | PTGS1PTGS2ALDH1A1CYP1A2GPBAR1 | |
| SCHEMBL17055597 | 0.71 | PTGS1 (0.69) | PTGS1PTGS2HTR7ALDH1A1CYP1A2 | |
| SCHEMBL9954000 | 0.70 | PTGS1 (0.48) | PTGS1PTGS2ALDH1A1CYP1A2IDO1 | |
| SCHEMBL9954348 | 0.68 | PTGS1 (0.49) | PTGS1PTGS2IDO1NPC1RAB9A | |
| SCHEMBL2281848 | 0.68 | PTGS2 (1.00) | PTGS1PTGS2HTR7ALDH1A1GPBAR1 |
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 |