Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TKT | P29401 | 1/20 | 0.32 |
| ▸ | RRM2 | P31350 | 3/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | RRM1 | P23921 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11830127 | 0.80 | KDM4E (0.35) | KDM4EALDH1A1GABRA1GABRB2CYP1A2 | |
| SCHEMBL21759880 | 0.76 | KDM4E (0.35) | KDM4EALDH1A1HPGDHSD17B10GABRA1 | |
| SCHEMBL9000359 | 0.76 | SLC40A1 (0.37) | KDM4EALDH1A1GABRA1GABRB2CYP1A2 | |
| SCHEMBL472968 | 0.74 | LMNA (0.37) | KDM4EALDH1A1GABRA1GABRB2CYP1A2 | |
| SCHEMBL659486 | 0.72 | GABRA1 (0.37) | KDM4EALDH1A1GABRA1GABRB2CYP1A2 | |
| SCHEMBL6115316 | 0.72 | TRIM24 (0.39) | KDM4EALDH1A1HPGDGABRA1GABRB2 | |
| SCHEMBL9902917 | 0.70 | FGF23 (0.44) | KDM4EALDH1A1GABRA1GABRB2CYP1A2 | |
| SCHEMBL19215683 | 0.69 | — | — | |
| Benzene SCHEMBL11824212 | 0.69 | TRIM24 (0.37) | SLC13A5KDM4EALDH1A1GABRA1GABRB2 | |
| SCHEMBL19413551 | 0.69 | — | — |
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-2396459-B1 | METHODS OF CREATING AND SCREENING DNA-ENCODED LIBRARIES | X-CHEM INC (US) | 2017-05-03 | — | — | EP | disclosed |