Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970590 | 1.00 | AAK1 (0.35) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL28524651 | 1.00 | AAK1 (0.35) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL16974965 | 0.92 | IDO1 (0.37) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL28290422 | 0.92 | IDO1 (0.37) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL18427958 | 0.92 | IDO1 (0.37) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL16982773 | 0.91 | AAK1 (0.36) | AAK1LMNAMAPTHPGDALDH1A1 | |
| SCHEMBL28520990 | 0.90 | LMNA (0.36) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL28524714 | 0.90 | LMNA (0.36) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL16970635 | 0.90 | LMNA (0.36) | AAK1CYP2D6LMNAMAPTHPGD | |
| SCHEMBL28518467 | 0.87 | LMNA (0.34) | AAK1CYP2D6LMNAMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |