Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13854898 | 0.79 | ALDH1A1 (0.57) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL21187775 | 0.79 | HSD17B10 (0.57) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL21187695 | 0.74 | ALDH1A1 (0.44) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL21187557 | 0.73 | ALDH1A1 (0.37) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL732391 | 0.72 | ALDH1A1 (0.44) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL21187699 | 0.70 | TLR8 (0.38) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL7786914 | 0.69 | DYRK1A (0.39) | HSD17B10ALDH1A1HPGDTSHRGSK3B | |
| SCHEMBL22798938 | 0.69 | NPC1 (0.38) | HSD17B10ALDH1A1TP53HPGDTSHR | |
| SCHEMBL2512112 | 0.68 | PTPRC (0.42) | MAPK1GSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL30061376 | 0.67 | NPC1 (0.46) | HSD17B10ALDH1A1TP53TSHRCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190228843-A1 | Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction | JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-25 | — | — | US | disclosed |