Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15257981 | 0.91 | KDM1A (0.35) | KDM1ATUBB1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10020127 | 0.87 | L3MBTL1 (0.38) | CYP1A2CYP2C9CYP2C19L3MBTL1HPGD | |
| SCHEMBL10020147 | 0.81 | PDK2 (0.35) | L3MBTL1LMNAMAPTATMPDK2 | |
| SCHEMBL10020097 | 0.80 | FFAR1 (0.32) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL15257982 | 0.80 | L3MBTL1 (0.40) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL10020180 | 0.78 | PDK2 (0.33) | PTGS2PDK2 | |
| SCHEMBL10019904 | 0.78 | PDK2 (0.33) | PTGS2PDK2 | |
| SCHEMBL10019568 | 0.77 | KDM1A (0.33) | KDM1ABRD4PIM1PIM2PTGS2 | |
| SCHEMBL10020101 | 0.77 | — | — | |
| SCHEMBL10020168 | 0.77 | GABRA1 (0.32) | CYP1A2CYP2C9CYP2C19PDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012086437-A1 | COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | JNC株式会社 (JP) | 2012-06-28 | — | — | WO | disclosed |