Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.38 |
| ▸ | RELA | Q04206 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1565316 | 0.87 | ALDH1A1 (0.46) | AKT1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL242270 | 0.81 | L3MBTL1 (0.41) | EPHX2MAPTHPGDALDH1A1TSHR | |
| SCHEMBL21848450 | 0.80 | MALT1 (0.47) | EPHX2HPGDALDH1A1SIGMAR1KDM4E | |
| SCHEMBL1564922 | 0.79 | CYP2D6 (0.42) | AKT1NFKB1NFKB2RELA | |
| SCHEMBL10136052 | 0.77 | NPFFR1 (0.39) | EPHX2MAPTHPGDALDH1A1TSHR | |
| SCHEMBL10046524 | 0.77 | NPFFR1 (0.39) | EPHX2MAPTHPGDALDH1A1TSHR | |
| SCHEMBL19901583 | 0.75 | AKT1 (0.43) | AKT1EPHX2MAPTHPGDALDH1A1 | |
| SCHEMBL905713 | 0.74 | ELANE (0.38) | AKT1MAPTHPGDALDH1A1TDP1 | |
| SCHEMBL27389263 | 0.74 | GSK3A (0.34) | HPGDALDH1A1 | |
| SCHEMBL22915492 | 0.74 | AKT1 (0.54) | AKT1ALDH1A1TDP1SIGMAR1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890822-A | INHIBITORS OF CELLULAR METABOLIC PROCESSES | 安吉奥斯医药品有限公司 | 2019-06-14 | — | — | CN | disclosed |