Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3449128 | 0.82 | USP30 (0.55) | PARP1ALDH1A1ADORA2AADORA2BADORA3 | |
| SCHEMBL3449130 | 0.82 | USP30 (0.55) | PARP1ALDH1A1ADORA2AADORA2BADORA3 | |
| SCHEMBL6371116 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDF10CA1CA2 | |
| SCHEMBL6310345 | 0.78 | CFTR (0.48) | PARP1HSD11B1CYP2C9ADORA2AADORA2B | |
| SCHEMBL2610266 | 0.78 | NAMPT (0.61) | PARP1HSD11B1CYP2C9CTSKHDAC3 | |
| SCHEMBL7939466 | 0.78 | NAMPT (0.61) | PARP1HSD11B1CYP2C9CTSKHDAC3 | |
| SCHEMBL31222941 | 0.78 | HSD11B1 (0.45) | PARP1HSD11B1CYP2C9ADORA2AADORA2B | |
| SCHEMBL24185654 | 0.77 | EPHX2 (0.52) | PARP1HSD11B1CYP2C9ADORA2AADORA2B | |
| SCHEMBL31267054 | 0.77 | NAMPT (0.57) | PARP1HSD11B1CYP2C9ADORA2AADORA2B | |
| SCHEMBL31267093 | 0.77 | NAMPT (0.57) | PARP1HSD11B1CYP2C9ADORA2AADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005032472-A2 | PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |