Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779124 | 0.82 | HTR2A (0.51) | METAP1SIGMAR1CYP19A1ALDH1A1HTR2C | |
| SCHEMBL8778973 | 0.77 | MAOA (0.56) | KDM1A | |
| SCHEMBL8778992 | 0.76 | TDP1 (0.39) | METAP1SIGMAR1KDM1A | |
| SCHEMBL8779056 | 0.76 | F7 (0.39) | METAP1SIGMAR1KDM1ACYP19A1CYP11B2 | |
| SCHEMBL8779005 | 0.76 | MAPT (0.33) | KDM4EALDH1A1MAPT | |
| SCHEMBL8779123 | 0.76 | TDP2 (0.36) | ADRA2AADRA2B | |
| SCHEMBL14409344 | 0.75 | HTR2A (0.53) | METAP1SIGMAR1CYP19A1ALDH1A1HTR2C | |
| SCHEMBL18815844 | 0.73 | SMN1; SMN2 (0.59) | METAP1SIGMAR1CYP19A1ALDH1A1MAPT | |
| SCHEMBL12443519 | 0.72 | METAP1 (0.54) | METAP1SIGMAR1KDM1ACYP19A1CYP11B2 | |
| SCHEMBL2311211 | 0.72 | METAP1 (0.54) | METAP1SIGMAR1CYP19A1CYP11B2KDM4E |
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 |