Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.35 |
| ▸ | THRA | P10827 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | TPMT | P51580 | 2/20 | 0.32 |
| ▸ | RXRB | P28702 | 2/20 | 0.32 |
| ▸ | RXRG | P48443 | 2/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217729 | 1.00 | FABP3 (0.35) | FABP3FABP4ACE2THRATHRB | |
| SCHEMBL29054130 | 0.85 | FABP3 (0.45) | FABP3FABP4ACE2THRATHRB | |
| SCHEMBL28260303 | 0.83 | GABRA1 (0.49) | THRATHRBGABRA1GABRB1GLRA1 | |
| SCHEMBL28260301 | 0.83 | GABRA1 (0.49) | THRATHRBGABRA1GABRB1GLRA1 | |
| SCHEMBL28465035 | 0.80 | GABRA1 (0.41) | THRATHRBGABRA1GABRB1GLRA1 | |
| SCHEMBL28465034 | 0.80 | GABRA1 (0.41) | THRATHRBGABRA1GABRB1GLRA1 | |
| SCHEMBL28217668 | 0.76 | TYR (0.32) | — | |
| SCHEMBL28217671 | 0.76 | TYR (0.32) | — | |
| SCHEMBL830459 | 0.72 | GABRA1 (0.53) | FABP3FABP4ACE2GABRA1GABRB1 | |
| SCHEMBL19474941 | 0.70 | TSHR (0.40) | FABP3FABP4GABRA1GABRB1GLRA1 |
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-108017559-B | Benzene ring derivative and application thereof in medicine | 四川海思科制药有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-108017559-A | Phenyl ring derivative and its application in medicine | 四川海思科制药有限公司 | 2018-05-11 | — | — | CN | disclosed |