Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | RORB | Q92753 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL28662231 | 0.87 | BCAT2 (0.56) | BCAT2PTGDR2ALDH1A1KDM4EHPGD | |
| SCHEMBL421844 | 0.87 | ALDH1A1 (0.57) | PTGDR2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL27724987 | 0.86 | KIF11 (0.50) | PTGDR2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL27560416 | 0.84 | PTGDR2 (0.54) | PTGDR2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL31661850 | 0.84 | MKNK1 (0.55) | KDM4EPARP1 | |
| Hydrochloric Acid SCHEMBL27927303 | 0.83 | MKNK1 (0.53) | KDM4EPARP1 | |
| SCHEMBL28078756 | 0.81 | IKBKB (0.54) | PTGDR2KIF11 | |
| SCHEMBL28025587 | 0.80 | GFER (0.55) | ALDH1A1KDM4E | |
| SCHEMBL4945678 | 0.80 | CFTR (0.60) | PTGDR2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2564888 | 0.80 | BCAT2 (0.65) | BCAT2ALDH1A1KDM4EBACE1TACR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483582-A | Azepine Cabbeen palladium complex crystal and its synthetic method and preparing the application in amide compound | UNIV SHAANXI NORMAL | 2019-11-22 | — | — | CN | disclosed |
| EP-2791121-B1 | BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ALLERGAN INC (US) | 2016-08-03 | — | — | EP | disclosed |
| US-7071199-B1 | Kinase inhibitors as therapeutic agents | ABBOTT GMBH & CCO. KG (DE) | 2006-07-04 | — | — | US | disclosed |
| CN-1390220-A | Kinase inhibitors as therapeutic agents | ABBOTT AG (DE) | 2003-01-08 | — | — | CN | disclosed |