Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10978789 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CES2CES1MAPTLMNA | |
| SCHEMBL6902415 | 0.79 | CES2 (0.48) | ALDH1A1CES2CES1MAPTCA1 | |
| SCHEMBL6384300 | 0.78 | MAPT (0.45) | ALDH1A1CES2CES1MAPTTSHR | |
| SCHEMBL9509034 | 0.77 | PARP1 (0.52) | ALDH1A1MAPTLMNARAB9ASMN1; SMN2 | |
| SCHEMBL3871767 | 0.77 | MAPT (0.44) | ALDH1A1CES2CES1MAPTTSHR | |
| SCHEMBL16729457 | 0.76 | CES2 (0.54) | ALDH1A1CES2CES1MAPTALOX15 | |
| SCHEMBL3822405 | 0.76 | CES2 (0.54) | ALDH1A1CES2CES1MAPTALOX15 | |
| SCHEMBL10489368 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CES2CES1MAPTALOX15 | |
| SCHEMBL9507861 | 0.73 | SMN1; SMN2 (0.53) | ALDH1A1MAPTALOX15TSHRRAB9A | |
| SCHEMBL17572011 | 0.73 | CES2 (0.56) | ALDH1A1CES2CES1MAPTALOX15 |
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-0348737-B1 | HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES | BAYER AG (DE) | 1993-08-04 | — | — | EP | claimed |