Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | GLA | P06280 | 3/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 6/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1608167 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL6936567 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL13609385 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL1608164 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL10260265 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL17049926 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL10260111 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL6931358 | 0.90 | KDM4E (0.54) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL12567077 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL10306504 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EGAAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7622451-B2 | Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders | UNIVERSITY OF KANSAS (US) | 2009-11-24 | — | — | US | disclosed |