Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | LSS | P48449 | 1/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | KIF5B | P33176 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | ETV6 | P41212 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21512508 | 1.00 | HRH3 (0.49) | HRH3LSSRETKIF5BKDR | |
| SCHEMBL26588845 | 0.85 | HRH3 (0.53) | HRH3LSSRETKIF5BKDR | |
| SCHEMBL30866919 | 0.84 | HRH3 (0.49) | HRH3LSSRETKIF5BKDR | |
| SCHEMBL21512510 | 0.84 | HRH3 (0.49) | HRH3LSSRETKIF5BKDR | |
| SCHEMBL21513332 | 0.79 | HRH3 (0.44) | HRH3LSSTOP2AHTR7KDM4E | |
| SCHEMBL17677079 | 0.78 | HRH3 (0.41) | HRH3LSSTOP2AKDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL10813003 | 0.77 | TOP2A (0.59) | HRH3LSSTOP2A | |
| SCHEMBL2409093 | 0.76 | MAPT (0.58) | FYN | |
| SCHEMBL2403886 | 0.76 | CYP19A1 (0.52) | KDM4E | |
| SCHEMBL1557828 | 0.75 | ROCK2 (0.38) | RETKIF5BKDRETV6FYN |
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-112469720-B | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | 艾科思莱德制药公司 | 2024-03-29 | — | — | CN | disclosed |