Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 3/20 | 0.45 |
| ▸ | PARP1 | P09874 | 6/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 4/20 | 0.41 |
| ▸ | MET | P08581 | 4/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | TEK | Q02763 | 4/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL634882 | 0.89 | KDM4E (0.65) | KDM4EALDH1A1GAAERN1PARP1 | |
| SCHEMBL14134468 | 0.85 | PARP1 (0.47) | ERN1PARP1DHODHHSD17B1HSD17B2 | |
| SCHEMBL14052345 | 0.81 | PARP1 (0.50) | ERN1PARP1HSD17B1HSD17B2ABL1 | |
| SCHEMBL353489 | 0.81 | ALDH1A1 (0.53) | KDM4EALDH1A1GAAERN1PARP1 | |
| SCHEMBL31612414 | 0.78 | KDM4E (0.56) | KDM4EALDH1A1GAAPARP1MEN1 | |
| SCHEMBL355056 | 0.78 | HSD17B1 (0.43) | KDM4EALDH1A1GAAPARP1HSD17B1 | |
| SCHEMBL353654 | 0.77 | HSD17B2 (0.43) | KDM4EALDH1A1GAAPARP1HSD17B1 | |
| SCHEMBL10407111 | 0.77 | NR4A1 (0.59) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL353378 | 0.76 | F10 (0.48) | KDM4EALDH1A1GAAPARP1MEN1 | |
| SCHEMBL355595 | 0.76 | TRPM8 (0.46) | KDM4EALDH1A1GAAPARP1AURKA |
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-2418942-A1 | NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS | Sanford-Burnham Medical Research Institute (US) | 2012-02-22 | — | — | EP | disclosed |