Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | TEK | Q02763 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13023074 | 0.94 | EGFR (0.43) | EGFRHAO1CYP1A2ALDH1A1FAAH | |
| SCHEMBL13066085 | 0.88 | CYP1A2 (0.46) | CYP1A2ALDH1A1FAAHCYP3A4MAPK1 | |
| SCHEMBL13300058 | 0.76 | RXFP1 (0.45) | MAPK1LMNAL3MBTL1LCKTEK | |
| SCHEMBL13023058 | 0.75 | KMT2A (0.45) | EGFRCYP1A2ALDH1A1FAAHCYP3A4 | |
| SCHEMBL23240237 | 0.75 | CYP1A2 (0.63) | CYP1A2ALDH1A1FAAHCYP3A4MAPK1 | |
| SCHEMBL29716287 | 0.75 | CYP1A2 (0.63) | CYP1A2ALDH1A1FAAHCYP3A4MAPK1 | |
| SCHEMBL13022960 | 0.74 | LMNA (0.47) | EGFRLMNAL3MBTL1LCKTEK | |
| SCHEMBL13023070 | 0.74 | LMNA (0.47) | EGFRLMNAL3MBTL1LCKTEK | |
| SCHEMBL13022991 | 0.73 | HAO1 (0.50) | EGFRHAO1ALDH1A1CYP3A4LMNA | |
| SCHEMBL845317 | 0.72 | GRM5 (0.52) | EGFRCYP1A2ALDH1A1L3MBTL1PDK1 |
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-2202220-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |