Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.45 |
| ▸ | HTR2A | P28223 | 8/20 | 0.45 |
| ▸ | HTR2C | P28335 | 8/20 | 0.45 |
| ▸ | HTR2B | P41595 | 8/20 | 0.45 |
| ▸ | DRD2 | P14416 | 8/20 | 0.45 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25713291 | 0.83 | CA1 (0.40) | PARP1PARP10DRD2SRD5A1CA1 | |
| SCHEMBL8779110 | 0.80 | SIGMAR1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL22892512 | 0.80 | SIGMAR1 (0.46) | PARP1PARP10SIGMAR1HTR2AHTR2C | |
| SCHEMBL8779101 | 0.80 | TDP1 (0.50) | PARP1PARP10SIGMAR1HTR2AHTR2C | |
| SCHEMBL8779128 | 0.80 | F7 (0.46) | PARP1PARP10SIGMAR1HTR2AHTR2C | |
| SCHEMBL8779088 | 0.80 | PARP1 (0.39) | PARP1PARP10SIGMAR1HTR2AHTR2C | |
| SCHEMBL8778995 | 0.80 | SIGMAR1 (0.43) | PARP1SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL8779124 | 0.76 | HTR2A (0.51) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778970 | 0.75 | SIGMAR1 (0.70) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778972 | 0.75 | HTR2A (0.49) | 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 |