Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7553964 | 0.94 | ALDH1A1 (0.46) | ALDH1A1HPGDHSD17B10BCL2L1PDCD1 | |
| SCHEMBL16429324 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10BCL2L1PDCD1 | |
| SCHEMBL11017672 | 0.81 | GABRA1 (0.52) | ALDH1A1HPGDHSD17B10BCL2L1PDK2 | |
| SCHEMBL10319995 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10BCL2L1PDCD1 | |
| Salicyl Alcohol SCHEMBL17028795 | 0.76 | HSPA5 (0.65) | ALDH1A1HPGDHSD17B10HSPA5TSHR | |
| Salicyl Alcohol SCHEMBL29453973 | 0.76 | — | — | |
| SCHEMBL29837181 | 0.76 | MAOA (0.56) | ALDH1A1HPGDHSD17B10BCL2L1PDK2 | |
| SCHEMBL2729251 | 0.76 | MAOA (0.56) | ALDH1A1HPGDHSD17B10BCL2L1PDK2 | |
| Salicyl Alcohol SCHEMBL15639 | 0.76 | — | — | |
| SCHEMBL10319055 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10BCL2L1HSPA5 |
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-2008124571-A2 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2008-10-16 | — | — | WO | disclosed |