Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ICMT | O60725 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347897 | 0.94 | OPRM1 (0.48) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL8355861 | 0.94 | OPRM1 (0.48) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL8355046 | 0.81 | OPRM1 (0.45) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL14347818 | 0.79 | OPRM1 (0.45) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL8350836 | 0.79 | TSHR (0.46) | OPRM1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL14347825 | 0.78 | OPRM1 (0.46) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL14347826 | 0.77 | OPRM1 (0.45) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL14347828 | 0.76 | OPRM1 (0.44) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL14347834 | 0.75 | OPRM1 (0.43) | OPRM1HTR1AHTR7HTR6ALDH1A1 | |
| SCHEMBL8351755 | 0.75 | SIGMAR1 (0.48) | OPRM1HTR1AHTR7HTR6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |