Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL496324 | 0.93 | GAA (0.54) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| SCHEMBL283293 | 0.93 | CES2 (0.52) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| Fluoride SCHEMBL31028111 | 0.91 | CES2 (0.50) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| SCHEMBL8703955 | 0.80 | CES2 (0.41) | ALDH1A1ALOX15CES2KDM4EHPGD | |
| SCHEMBL17732182 | 0.80 | KIF11 (0.54) | GAAALDH1A1ALOX15CES2TRPV1 | |
| SCHEMBL8675845 | 0.80 | CES2 (0.58) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| SCHEMBL15918189 | 0.79 | ALDH1A1 (0.46) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| SCHEMBL7733997 | 0.79 | CES2 (0.46) | GAAALDH1A1ALOX15CES2CYP11B1 | |
| SCHEMBL28188798 | 0.78 | GAA (0.57) | GAAALDH1A1CES2CYP11B1CYP11B2 | |
| SCHEMBL18130731 | 0.77 | ALDH1A1 (0.47) | GAAALDH1A1ALOX15CES2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |