Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 1/20 | 0.43 |
| ▸ | FABP3 | P05413 | 3/20 | 0.42 |
| ▸ | FABP4 | P15090 | 3/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22760308 | 0.87 | GAA (0.40) | FABP3FABP4FABP5CYP2C9GAA | |
| SCHEMBL22760116 | 0.85 | ALDH1A1 (0.47) | MAT2ACYP2C9GAAALDH1A1HPGD | |
| SCHEMBL22747822 | 0.83 | GAA (0.38) | GAAEDNRAALDH1A1HPGDHSD17B10 | |
| SCHEMBL22748254 | 0.83 | MAT2A (0.46) | MAT2AFABP3FABP4FABP5EDNRA | |
| SCHEMBL22760495 | 0.81 | FOLH1 (0.37) | GAAEDNRAALDH1A1HPGDHSD17B10 | |
| SCHEMBL22747915 | 0.81 | ALDH1A1 (0.40) | MAT2AFABP3FABP4FABP5CYP2C9 | |
| SCHEMBL22760063 | 0.81 | EDNRA (0.39) | CYP2C9GAAEDNRAALDH1A1HPGD | |
| SCHEMBL22747830 | 0.81 | EDNRA (0.39) | CYP2C9GAAEDNRAALDH1A1HPGD | |
| SCHEMBL22748260 | 0.81 | GAA (0.37) | GAAEDNRAALDH1A1HPGDHSD17B10 | |
| SCHEMBL22760576 | 0.81 | MAT2A (0.41) | MAT2AFABP3FABP4FABP5CYP2C9 |
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-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |