Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL19415684 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPK1NOS2 | |
| SCHEMBL20254285 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPK1NOS2 | |
| SCHEMBL18685892 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPK1NOS2 | |
| SCHEMBL1255649 | 0.97 | ALDH1A1 (0.39) | ALDH1A1MAPK1NOS2 | |
| SCHEMBL3070254 | 0.94 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL3723527 | 0.94 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL21374473 | 0.94 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL27805063 | 0.94 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL567325 | 0.94 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| Water SCHEMBL10371455 | 0.92 | ALDH1A1 (0.35) | ALDH1A1MAPK1 |
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 |