Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL4609144 | 1.00 | ALDH1A1 (0.37) | ALDH1A1AURKAAURKBHTR1DHTR1B | |
| SCHEMBL1726627 | 0.91 | ALDH1A1 (0.37) | ALDH1A1AURKAAURKBHTR1DHTR1B | |
| SCHEMBL1726628 | 0.91 | ALDH1A1 (0.37) | ALDH1A1AURKAAURKBHTR1DHTR1B | |
| SCHEMBL1727874 | 0.84 | ALDH1A1 (0.38) | ALDH1A1AURKAAURKBSMN1; SMN2RXFP1 | |
| SCHEMBL1727876 | 0.84 | ALDH1A1 (0.38) | ALDH1A1AURKAAURKBSMN1; SMN2RXFP1 | |
| SCHEMBL1728141 | 0.82 | NR3C1 (0.42) | ALDH1A1AURKAAURKBSMN1; SMN2MAPT | |
| SCHEMBL1728102 | 0.82 | ALDH1A1 (0.37) | ALDH1A1AURKAAURKBSMN1; SMN2RXFP1 | |
| SCHEMBL1728143 | 0.82 | NR3C1 (0.42) | ALDH1A1AURKAAURKBSMN1; SMN2MAPT | |
| SCHEMBL1728103 | 0.82 | ALDH1A1 (0.37) | ALDH1A1AURKAAURKBSMN1; SMN2RXFP1 | |
| SCHEMBL1728372 | 0.76 | GAA (0.49) | ALDH1A1AURKAAURKBSMN1; SMN2MAPT |
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-1878717-A1 | Benzyl amines, a process for their production and their use as anti-inflammatory agents | Bayer Schering Pharma Aktiengesellschaft (DE) | 2008-01-16 | — | — | EP | disclosed |