Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.43 |
| ▸ | HTR2A | P28223 | 7/20 | 0.43 |
| ▸ | HTR2C | P28335 | 7/20 | 0.43 |
| ▸ | HTR2B | P41595 | 7/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 7/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779005 | 0.80 | MAPT (0.33) | CA9CASP1CASP7HSD17B10TYMS | |
| SCHEMBL8779101 | 0.80 | TDP1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BCA9 | |
| SCHEMBL22892512 | 0.80 | SIGMAR1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BCA9 | |
| SCHEMBL8779154 | 0.80 | PARP1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BCA9 | |
| SCHEMBL8779128 | 0.80 | F7 (0.46) | SIGMAR1HTR2AHTR2CHTR2BTYMS | |
| SCHEMBL8779110 | 0.80 | SIGMAR1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BTYMS | |
| SCHEMBL8913172 | 0.79 | SIGMAR1 (0.47) | SIGMAR1HTR2AHTR2CHTR2BCASP1 | |
| SCHEMBL27463810 | 0.78 | CA9 (0.41) | SIGMAR1HTR2AHTR2CHTR2BCA9 | |
| SCHEMBL6841622 | 0.77 | SIGMAR1 (0.62) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779124 | 0.76 | HTR2A (0.51) | SIGMAR1HTR2AHTR2CHTR2BCA9 |
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 |