Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.47 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL168163 | 0.81 | PTGDR2 (0.54) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 | |
| SCHEMBL8052632 | 0.81 | PTGDR2 (0.54) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15411526 | 0.79 | PTGDR2 (0.52) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 | |
| SCHEMBL24129462 | 0.77 | CA2 (0.55) | CA2ALDH1A1HPGDHTTKDM4E | |
| SCHEMBL15485853 | 0.76 | PSIP1 (0.57) | CA2TSHRKDM4EMAPT | |
| SCHEMBL20323503 | 0.76 | DRD1 (0.42) | CA2ALDH1A1HPGDLMNAPTGS1 | |
| SCHEMBL165384 | 0.76 | PSIP1 (0.57) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 | |
| SCHEMBL3386674 | 0.75 | CA2 (0.56) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 | |
| SCHEMBL3639617 | 0.73 | CA2 (0.67) | CA2CAMK2AKDM4EMAPT | |
| SCHEMBL19032369 | 0.73 | CA2 (0.54) | CA2CAMK2AMEP1BAKR1B1ALDH1A1 |
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-2021143923-A1 | BORONIC ACID DERIVATIVES | 首药控股(北京)股份有限公司 | 2021-07-22 | — | — | WO | disclosed |