Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905002 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL15087211 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL8906026 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL891457 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL8906051 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MAPTGAASLC1A3SLC1A2 | |
| SCHEMBL8206271 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL14230617 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL10485701 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL25285101 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTGAACYP2D6SLC1A3 | |
| SCHEMBL1845028 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTGAACYP2D6SLC1A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |