Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13054559 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRNPSR1POLBSCN9A | |
| SCHEMBL7601571 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TSHRNPSR1POLBSCN9A | |
| SCHEMBL14106153 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TSHRNPSR1POLBSCN9A | |
| SCHEMBL4556667 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TSHRNPSR1POLBSCN9A | |
| SCHEMBL7548753 | 0.81 | ALDH1A1 (0.32) | ALDH1A1TSHRNPSR1POLBSCN9A | |
| SCHEMBL7550337 | 0.81 | BACE1 (0.44) | — | |
| SCHEMBL13054037 | 0.81 | BACE1 (0.44) | — | |
| SCHEMBL14104969 | 0.81 | — | — | |
| SCHEMBL14106172 | 0.81 | HSD11B1 (0.33) | ALDH1A1GAAKDM4EGLAKMT2A | |
| SCHEMBL8211428 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TSHRNPSR1POLBHTT |
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-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |