Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22273070 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL10656434 | 0.83 | NPSR1 (0.43) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL6729528 | 0.83 | NPSR1 (0.43) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL21033461 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL23607713 | 0.81 | NPSR1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL21427204 | 0.81 | GLO1 (0.47) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL29176089 | 0.81 | NPSR1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL516444 | 0.81 | GLO1 (0.47) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL22620309 | 0.81 | NPSR1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL22252317 | 0.80 | MAPT (0.40) | ALDH1A1CYP2D6SMN1; SMN2NPSR1GLO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011628-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2018-01-18 | — | — | WO | disclosed |