Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30608064 | 1.00 | ALDH1A1 (0.45) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL30608069 | 0.85 | MAPK8 (0.49) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL26125920 | 0.85 | MAPK8 (0.49) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL26125404 | 0.85 | HPGD (0.54) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL30608067 | 0.85 | HPGD (0.54) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL26127364 | 0.84 | HPGD (0.48) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL30608109 | 0.84 | HPGD (0.48) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL30608124 | 0.81 | MAT2A (0.48) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL26125895 | 0.81 | MAT2A (0.48) | ALDH1A1POLBHPGDCYP1A2CYP2C9 | |
| SCHEMBL30608128 | 0.81 | MAT2A (0.44) | ALDH1A1POLBHPGDCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116924983-A | Novel heterocyclic compound | 首药控股(北京)股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| WO-2023185811-A1 | NOVEL HETEROCYCLIC COMPOUND | 首药控股(北京)股份有限公司 | 2023-10-05 | — | — | WO | disclosed |