Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519527 | 1.00 | CYP2D6 (0.44) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL18428028 | 0.91 | KLK5 (0.43) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL28216674 | 0.91 | KLK5 (0.43) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL18472359 | 0.84 | ADRB2 (0.36) | CYP2D6ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL28523122 | 0.80 | CYP2D6 (0.37) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL28523121 | 0.80 | CYP2D6 (0.37) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL28379588 | 0.80 | CYP2D6 (0.39) | CYP2D6AAK1ALDH1A1MAPTHPGD | |
| SCHEMBL16970675 | 0.80 | KLK5 (0.41) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL16970616 | 0.80 | KLK5 (0.43) | CYP2D6KLK5CA1CA2CA7 | |
| SCHEMBL16971068 | 0.79 | AAK1 (0.39) | CYP2D6CA1CA2ADRB2ADRB1 |
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 |