Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26643257 | 0.85 | CYP46A1 (0.55) | NR4A2CYP46A1TDP1CA12CA1 | |
| SCHEMBL1206018 | 0.80 | CYP46A1 (0.57) | NR4A2CYP46A1TDP1CA12CA1 | |
| SCHEMBL16971638 | 0.80 | ABL1 (0.62) | NR4A2CA12CA1CA2CA7 | |
| SCHEMBL26765141 | 0.80 | NR4A2 (0.50) | NR4A2CA12CA1CA2CA7 | |
| SCHEMBL1743546 | 0.80 | SLC6A4 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13817373 | 0.79 | CYP46A1 (0.56) | NR4A2CYP46A1TDP1CA12CA1 | |
| SCHEMBL158111 | 0.79 | TDP1 (0.57) | NR4A2CYP46A1TDP1CA12CA1 | |
| SCHEMBL2065197 | 0.79 | CSNK2A1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24478340 | 0.77 | KDM4E (0.43) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL30409057 | 0.77 | TDP1 (0.55) | NR4A2CYP46A1TDP1CA12CA1 |
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-2021104749-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-06-03 | — | — | WO | disclosed |