Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10147498 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL4398676 | 0.78 | PPARA (0.51) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL11539611 | 0.74 | SLC22A12 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL10999042 | 0.73 | TBXAS1 (0.38) | ALDH1A1MAPTLMNAL3MBTL1MEN1 | |
| SCHEMBL3323151 | 0.73 | FFAR2 (0.52) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL8418761 | 0.70 | POLB (0.39) | KDM4EMAPTLMNAPDK1PDK2 | |
| SCHEMBL11870199 | 0.70 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTLMNAL3MBTL1 | |
| SCHEMBL469433 | 0.70 | CYP1A2 (0.56) | ALDH1A1MAPTL3MBTL1POLBTDP1 | |
| SCHEMBL11538993 | 0.70 | PPARA (0.51) | ALDH1A1MAPTMEN1KMT2ACYP2C19 | |
| SCHEMBL11303469 | 0.69 | MAPT (0.38) | ALDH1A1MAPTLMNAL3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2418207-A1 | Sulfone compounds which modulate the CB2 receptor | Boehringer Ingelheim International GmbH (DE) | 2012-02-15 | — | — | EP | disclosed |