Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.57 |
| ▸ | PREP | P48147 | 7/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2333872 | 0.92 | PARP1 (0.48) | PARP1PREPACHEMAPTRECQL | |
| SCHEMBL3910578 | 0.86 | PARP1 (0.44) | PARP1PREPACHEMAPTRECQL | |
| SCHEMBL31281346 | 0.85 | DCTPP1 (0.48) | PARP1PREPKMT2A | |
| SCHEMBL4029942 | 0.80 | LMNA (0.56) | PARP1ACHEPOLBPARP2MAPT | |
| SCHEMBL29695767 | 0.80 | ACHE (0.44) | PARP1ACHEPARP2MAPTRECQL | |
| SCHEMBL2024995 | 0.79 | PARP1 (0.64) | PARP1PREPPARP2 | |
| SCHEMBL24469503 | 0.78 | PARP1 (0.49) | PARP1ACHEPARP2MAPTRECQL | |
| SCHEMBL4209630 | 0.78 | ACHE (0.43) | PARP1ACHEPOLBPARP2MAPT | |
| SCHEMBL14348206 | 0.78 | DHPS (0.54) | ACHEPOLBMAPTRECQLKMT2A | |
| SCHEMBL2030975 | 0.78 | KMT2A (0.43) | ACHEPOLBMAPTRECQLKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |