Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22596444 | 0.94 | NOS3 (0.34) | NOS3NOS1CHRM2CHRM3GAA | |
| SCHEMBL13955039 | 0.81 | NOS1 (0.43) | NOS3NOS1GAAALDH1A1 | |
| SCHEMBL17679887 | 0.79 | PARP1 (0.34) | NOS3NOS1L3MBTL3PARP2 | |
| SCHEMBL2074737 | 0.76 | BRD4 (0.45) | NOS3NOS1CHRM2CHRM3PARP2 | |
| SCHEMBL26022693 | 0.72 | NOS1 (0.48) | NOS3NOS1L3MBTL1 | |
| SCHEMBL22733199 | 0.72 | CHRM2 (0.33) | NOS3NOS1CHRM2CHRM3GAA | |
| SCHEMBL23197771 | 0.71 | NOS3 (0.33) | NOS3NOS1 | |
| SCHEMBL8338221 | 0.71 | DPP4 (0.39) | CHRM2CHRM3L3MBTL3L3MBTL1PARP2 | |
| SCHEMBL6616471 | 0.71 | HTR2C (0.44) | NOS3NOS1 | |
| SCHEMBL26022752 | 0.69 | LMNA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2766346-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |