Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PTPRC | P08575 | 3/20 | 0.44 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6841697 | 0.87 | ADRA2A (0.47) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL6840810 | 0.83 | SIGMAR1 (0.51) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL3982285 | 0.82 | CA1 (0.47) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL8914100 | 0.81 | HTR2A (0.49) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL4336912 | 0.81 | CA1 (0.46) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL6836358 | 0.80 | SIGMAR1 (0.58) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL16559365 | 0.77 | MAPT (0.61) | CA1CA2CA9CA7MAPT | |
| SCHEMBL8779110 | 0.75 | SIGMAR1 (0.43) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL8779154 | 0.75 | PARP1 (0.46) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL22892512 | 0.75 | SIGMAR1 (0.46) | HTR2AHTR2CHTR2BSIGMAR1DRD2 |
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-0606661-B1 | Octahydrophenanthrene derivatives and their use as NMDA-Antagonists | HOFFMANN LA ROCHE (CH) | 1997-03-12 | — | — | EP | disclosed |
| US-5385947-A | For prevention of nerve damage due to reduction of blood or oxygen supplies | HOFFMANN-LA ROCHE INC. (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0606661-A1 | Octahydrophenanthrene derivatives and their use as NMDA-Antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1994-07-20 | — | — | EP | disclosed |