Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13618557 | 0.83 | ALDH1A1 (0.37) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL3323151 | 0.72 | FFAR2 (0.52) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL11870199 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL1417865 | 0.68 | PPARA (0.65) | ALDH1A1MAPTL3MBTL1POLBMEN1 | |
| SCHEMBL10147500 | 0.68 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| 1,4-Dichlorobenzene SCHEMBL27966328 | 0.67 | KDM4E (0.60) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL352123 | 0.67 | CNR2 (0.58) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL28291121 | 0.65 | LMNA (0.44) | ALDH1A1LMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL30730384 | 0.65 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EL3MBTL1LMNA | |
| SCHEMBL22221537 | 0.63 | PPARA (0.68) | ALDH1A1MAPTLMNAPOLBMEN1 |
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-2009140089-A2 | SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-19 | — | — | WO | disclosed |