Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.43 |
| ▸ | HTR2A | P28223 | 11/20 | 0.43 |
| ▸ | HTR2C | P28335 | 11/20 | 0.43 |
| ▸ | HTR2B | P41595 | 11/20 | 0.43 |
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 11/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779123 | 0.80 | TDP2 (0.36) | TDP2TYMSTGM2CES1ADRA2A | |
| SCHEMBL8778995 | 0.80 | SIGMAR1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779101 | 0.80 | TDP1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BTDP2 | |
| SCHEMBL22892512 | 0.80 | SIGMAR1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779128 | 0.80 | F7 (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779154 | 0.80 | PARP1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779124 | 0.76 | HTR2A (0.51) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778970 | 0.75 | SIGMAR1 (0.70) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778972 | 0.75 | HTR2A (0.49) | SIGMAR1HTR2AHTR2CHTR2BTDP2 | |
| SCHEMBL6370185 | 0.74 | TDP2 (0.48) | TDP2TYMSTGM2CES1ADRA2A |
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 |