Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 6/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | BCR | P11274 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4618663 | 0.83 | ALDH1A1 (0.78) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL22345182 | 0.82 | ADRA1A (0.64) | ADRA1APOLBALDH1A1HPGDHSD17B10 | |
| SCHEMBL30635503 | 0.80 | HPGD (0.60) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL16827278 | 0.77 | ADRA1A (1.00) | ADRA1ADGAT2L3MBTL3L3MBTL1 | |
| SCHEMBL3126575 | 0.76 | POLB (0.73) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL28053591 | 0.76 | POLB (0.77) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL20052796 | 0.75 | ADRA1A (0.79) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL605729 | 0.75 | POLB (1.00) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL12647466 | 0.73 | POLB (0.73) | ADRA1APOLBALDH1A1KDM4EHPGD | |
| SCHEMBL22360320 | 0.73 | TGM2 (0.52) | ADRA1APOLBALDH1A1DGAT2HSD11B1 |
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-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |