Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.48 |
| ▸ | HTR2C | P28335 | 5/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.45 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.39 |
| ▸ | MYLK | Q15746 | 2/20 | 0.39 |
| ▸ | PRKCB | P05771 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL8318760 | 1.00 | HTR2A (0.48) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL1991214 | 1.00 | HTR2A (0.48) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL8657682 | 0.91 | HTR2A (0.46) | HTR2AHTR2CSIGMAR1 | |
| SCHEMBL8654361 | 0.87 | HTR2A (0.54) | HTR2AHTR2CSIGMAR1HTR1A | |
| SCHEMBL8655904 | 0.85 | PRKCE (0.51) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL8653081 | 0.84 | HTR2A (0.43) | HTR2AHTR2CSIGMAR1PRKCB | |
| SCHEMBL8449854 | 0.83 | SIGMAR1 (0.49) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL8451901 | 0.81 | HTR2A (0.42) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL1993818 | 0.81 | HTR2A (0.45) | HTR2AHTR2CSIGMAR1PRKCEMYLK | |
| SCHEMBL8451898 | 0.81 | HTR2A (0.42) | HTR2AHTR2CSIGMAR1PRKCEMYLK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0574783-B1 | Asymmetric hydrogenation | HOFFMANN LA ROCHE (CH) | 1999-10-06 | — | — | EP | disclosed |
| US-5374727-A | Using rhodium-diphosphine complex as hydrogenation catalyst | HOFFMANN-LA ROCHE INC. (US) | 1994-12-20 | — | — | US | disclosed |
| EP-0574783-A2 | Asymmetric hydrogenation | F. HOFFMANN-LA ROCHE AG (CH) | 1993-12-22 | — | — | EP | disclosed |