Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29093242 | 0.89 | GLA (0.39) | ALOX5CES2CES1KEAP1KMT2A | |
| SCHEMBL3465369 | 0.87 | HDAC1 (0.38) | ALOX5CES2CES1KEAP1KMT2A | |
| SCHEMBL28001240 | 0.85 | HDAC1 (0.40) | ALOX5KMT2ACYP2D6KCNH2MAPT | |
| SCHEMBL27842941 | 0.85 | HDAC1 (0.40) | ALOX5KMT2ACYP2D6KCNH2MAPT | |
| SCHEMBL27758869 | 0.85 | HDAC1 (0.40) | ALOX5KMT2ACYP2D6KCNH2MAPT | |
| SCHEMBL27537070 | 0.85 | HDAC1 (0.40) | ALOX5KMT2ACYP2D6KCNH2MAPT | |
| SCHEMBL7459967 | 0.83 | — | — | |
| SCHEMBL921267 | 0.80 | TAS1R3 (0.39) | TAS1R3TAS1R1ALOX5CES2CES1 | |
| SCHEMBL159474 | 0.79 | TAS1R3 (0.37) | TAS1R3TAS1R1ALOX5CES2CES1 | |
| SCHEMBL28099579 | 0.78 | GLA (0.33) | HTT |
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-111039847-B | Magnolol derivative and preparation method and application thereof | 深圳市老年医学研究所 | 2021-04-16 | — | — | CN | disclosed |
| CN-111039847-A | Magnolol derivative and preparation method and application thereof | 深圳市老年医学研究所 | 2020-04-21 | — | — | CN | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |