Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MDM4 | O15151 | 1/20 | 0.52 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894608 | 1.00 | ALDH1A1 (0.54) | ALDH1A1NPSR1KMT2ALNPEPTSHR | |
| SCHEMBL14642036 | 0.88 | ALDH1A1 (0.53) | ALDH1A1NPSR1KMT2ALNPEPTSHR | |
| SCHEMBL10458277 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CASP1NOS3NOS1NOS2 | |
| SCHEMBL3919350 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1 | |
| SCHEMBL6022077 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1 | |
| SCHEMBL13205564 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CASP1NOS3NOS1NOS2 | |
| SCHEMBL10887038 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1 | |
| SCHEMBL10458275 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CASP1NOS3NOS1NOS2 | |
| SCHEMBL6893819 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KMT2ATSHRCASP1NOS3 | |
| SCHEMBL6893824 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KMT2ATSHRCASP1NOS3 |
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-6797819-B1 | Alkaloids | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-09-28 | — | — | US | disclosed |