Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 9/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6458911 | 1.00 | KDM1A (0.42) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6454232 | 0.91 | KDM1A (0.40) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6454237 | 0.91 | KDM1A (0.40) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6455978 | 0.89 | CTSK (0.39) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6455660 | 0.89 | KDM1A (0.41) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6462244 | 0.89 | GRIN1 (0.33) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6456089 | 0.89 | MGLL (0.40) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6455969 | 0.89 | CTSK (0.39) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6455666 | 0.89 | KDM1A (0.41) | KDM1AGRIN1GRIN2BCYP17A1NAAA | |
| SCHEMBL6462239 | 0.89 | GRIN1 (0.33) | KDM1AGRIN1GRIN2BCYP17A1NAAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |