Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.71 |
| ▸ | BACE1 | P56817 | 5/20 | 0.71 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.71 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.71 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.71 |
| ▸ | PRKCA | P17252 | 1/20 | 0.71 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.56 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.56 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.56 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.53 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL571508 | 0.90 | ESR1 (0.76) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| SCHEMBL15386081 | 0.89 | BACE1 (0.68) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| SCHEMBL30834874 | 0.83 | ESR1 (0.67) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| Isoxanthohumol SCHEMBL30033683 | 0.83 | ESR1 (1.00) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| Isoxanthohumol SCHEMBL30034254 | 0.83 | ESR1 (1.00) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| Isoxanthohumol SCHEMBL14092988 | 0.83 | ESR1 (1.00) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| Isoxanthohumol SCHEMBL904557 | 0.83 | ESR1 (1.00) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| Isoxanthohumol SCHEMBL29743582 | 0.83 | ESR1 (1.00) | ESR1BACE1AKR1B10AKR1B1PDPK1 | |
| SCHEMBL31517131 | 0.81 | MAPT (0.65) | ESR1AKR1B10AKR1B1ESR2ABCG2 | |
| SCHEMBL30834916 | 0.81 | ESR1 (0.64) | ESR1BACE1AKR1B10AKR1B1PDPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111983058-B | Screening method of traditional Chinese medicine anti-nonalcoholic fatty liver active substances | 云南中医药大学 | 2023-06-23 | — | — | CN | claimed |
| CN-111983058-A | Method for screening active substance of traditional Chinese medicine for resisting non-alcoholic fatty liver disease | 云南中医药大学 | 2020-11-24 | — | — | CN | claimed |
| CN-111983058-B | Screening method of traditional Chinese medicine anti-nonalcoholic fatty liver active substances | 云南中医药大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-111983058-A | Method for screening active substance of traditional Chinese medicine for resisting non-alcoholic fatty liver disease | 云南中医药大学 | 2020-11-24 | — | — | CN | disclosed |