Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1804730 | 0.80 | MAOA (0.49) | ALDH1A1LMNANSD2HSP90AA1HKDC1 | |
| SCHEMBL1802680 | 0.79 | NSD2 (0.73) | ALDH1A1KDM4ELMNASMN1; SMN2NSD2 | |
| SCHEMBL12653236 | 0.78 | NAT1 (0.47) | ALDH1A1KDM4ELMNASMN1; SMN2NSD2 | |
| SCHEMBL97639 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4ELMNASMN1; SMN2ALDH1A3 | |
| SCHEMBL888020 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4ELMNASMN1; SMN2ALDH1A3 | |
| SCHEMBL5050902 | 0.76 | PARP10 (0.65) | ALDH1A1KDM4ELMNASMN1; SMN2ALDH1A3 | |
| SCHEMBL1663469 | 0.76 | PARP10 (0.65) | ALDH1A1KDM4ELMNASMN1; SMN2ALDH1A3 | |
| SCHEMBL17594366 | 0.76 | LTA4H (0.56) | ALDH1A1KDM4ELMNASMN1; SMN2NSD2 | |
| SCHEMBL1242099 | 0.76 | CES2 (0.64) | ALDH1A1KDM4ELMNASMN1; SMN2NSD2 | |
| SCHEMBL19409308 | 0.76 | MAOA (0.56) | ALDH1A1KDM4ELMNASMN1; SMN2NSD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011055142-A2 | 1,4-QUINONES AND THEIR SULFUR ANALOGUES USEFUL AS LIGANDS OF N-ACETYLTRANSFERASES | ISIS INNOVATION LIMITED (GB) | 2011-05-12 | — | — | WO | disclosed |
| WO-2011055142-A2 | 1,4-QUINONES AND THEIR SULFUR ANALOGUES USEFUL AS LIGANDS OF N-ACETYLTRANSFERASES | ISIS INNOVATION LIMITED (GB) | 2011-05-12 | — | — | WO | disclosed |