Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3956678 | 0.82 | HPGD (0.43) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL8755333 | 0.82 | CA1 (0.50) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28022989 | 0.81 | PRSS1 (0.52) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7302208 | 0.81 | CA1 (0.52) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28656480 | 0.77 | PARP10 (0.58) | CA1CA2PARP10PARP2PARP4 | |
| SCHEMBL9786928 | 0.75 | CES2 (0.51) | CA1CA2CES2CES1ALDH1A1 | |
| SCHEMBL10636083 | 0.74 | PARP1 (0.36) | PARP10PARP1CES2CES1ALDH1A1 | |
| SCHEMBL7753773 | 0.73 | TP53 (0.48) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL18554580 | 0.73 | PARP1 (0.50) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7304754 | 0.71 | PARP10 (0.41) | CA1CA2PARP10PARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1948639-A2 | NOVEL CARBOCYCLIC FUSED CYCLIC AMINES | F. Hoffmann-la Roche AG (CH) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007054453-A2 | CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA | F. HOFFMANN-LA ROCHE AG (CH) | 2007-05-18 | — | — | WO | disclosed |