Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.57 |
| ▸ | HTR2A | P28223 | 7/20 | 0.57 |
| ▸ | HTR2C | P28335 | 7/20 | 0.57 |
| ▸ | HTR2B | P41595 | 7/20 | 0.57 |
| ▸ | DRD2 | P14416 | 7/20 | 0.57 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PPOX | P50336 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779128 | 0.87 | F7 (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL18845510 | 0.80 | SIGMAR1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779058 | 0.80 | METAP1 (0.40) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779030 | 0.79 | SIGMAR1 (0.39) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL9587877 | 0.78 | HTR2A (0.46) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6843211 | 0.78 | SIGMAR1 (0.66) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6843242 | 0.77 | SIGMAR1 (0.71) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6836344 | 0.77 | SIGMAR1 (0.64) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8936189 | 0.77 | DRD2 (0.45) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL18815844 | 0.76 | SMN1; SMN2 (0.59) | SIGMAR1HTR2AHTR2CHTR2BDRD2 |
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 |