Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29914707 | 1.00 | DRD2 (0.61) | DRD2SIGMAR1GAARAD52KDM4E | |
| SCHEMBL1598942 | 0.88 | DRD2 (0.47) | DRD2GAARAD52KCNH2 | |
| SCHEMBL1598662 | 0.87 | GAA (0.62) | DRD2GAARAD52KDM4EDRD3 | |
| SCHEMBL13981461 | 0.83 | DRD2 (0.60) | DRD2SIGMAR1GAARAD52KDM4E | |
| SCHEMBL1599368 | 0.82 | SIRT6 (0.58) | GAAKDM4E | |
| SCHEMBL1599743 | 0.78 | ALDH1A1 (0.49) | GAAKDM4E | |
| SCHEMBL13981656 | 0.77 | SIRT6 (0.73) | DRD2SIGMAR1GAA | |
| Bromide SCHEMBL11216847 | 0.77 | DRD2 (0.66) | DRD2SIGMAR1GAARAD52KDM4E | |
| SCHEMBL81904 | 0.76 | DRD2 (0.70) | DRD2SIGMAR1GAARAD52KDM4E | |
| SCHEMBL1599707 | 0.76 | HPGD (0.50) | GAAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |
| CN-111094300-A | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | CN | disclosed |
| WO-2019149205-A1 | BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2019-08-08 | — | — | WO | disclosed |