Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.56 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.50 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26666452 | 1.00 | AHR (0.56) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL2078536 | 0.82 | AHR (0.49) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL28408499 | 0.82 | AHR (0.49) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL9096698 | 0.81 | AHR (0.51) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL9922267 | 0.79 | TDP2 (0.58) | — | |
| SCHEMBL15668600 | 0.77 | AHR (0.46) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL4890646 | 0.76 | KIF11 (0.62) | GRIA1CACNG8PDE3BPDE3APGR | |
| SCHEMBL29643007 | 0.76 | BRD4 (0.48) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL433708 | 0.76 | AHR (0.61) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL16815705 | 0.75 | AHR (0.44) | AHRGRIA1CACNG8PDE3BPDE3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116997550-A | N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof | 杭州普洛药物研究院有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-114853659-A | N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof | 普洛药业股份有限公司 | 2022-08-05 | — | — | CN | disclosed |