Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12951309 | 1.00 | TDP1 (0.46) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL29438468 | 0.98 | CYP2A6 (0.47) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL2246996 | 0.98 | CYP2A6 (0.47) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL14673069 | 0.98 | CYP2A6 (0.47) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL16344226 | 0.98 | CYP2A6 (0.47) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL29438465 | 0.98 | CYP2A6 (0.47) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL16627120 | 0.95 | CYP2A6 (0.50) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL21190137 | 0.94 | TDP1 (0.44) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL13136843 | 0.93 | CYP2A6 (0.52) | TDP1CYP1A2CYP3A4CYP2C9MAPT | |
| SCHEMBL5571565 | 0.93 | CYP2A6 (0.52) | TDP1CYP1A2CYP3A4CYP2C9MAPT |
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-2045848-B1 | ORGANIC ELECTROLUMINESCENT DEVICE MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE | IDEMITSU KOSAN CO (JP) | 2017-09-27 | — | — | EP | disclosed |