Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4746464 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL13320345 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL2302722 | 0.81 | ALDH1A1 (0.71) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL4745930 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL21187619 | 0.80 | CYP3A4 (0.50) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| Benzo(K)Fluoranthene SCHEMBL3432727 | 0.80 | ALDH1A1 (0.66) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL29433166 | 0.79 | ALDH1A1 (0.75) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL29433167 | 0.79 | ALDH1A1 (0.75) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL29433165 | 0.79 | ALDH1A1 (0.75) | ALDH1A1MAPK1CASP1HPGDHSD17B10 | |
| SCHEMBL13320888 | 0.78 | POLB (0.53) | ALDH1A1MAPK1CASP1HPGDHSD17B10 |
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 |