Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7594286 | 0.84 | ALDH1A1 (0.39) | TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL2542973 | 0.82 | ALDH1A1 (0.48) | ESR1GAATSHRSLC6A2CYP3A4 | |
| SCHEMBL5189462 | 0.82 | TSHR (0.34) | ESR1GAATSHRSLC6A2CYP3A4 | |
| SCHEMBL12710498 | 0.80 | ADRB1 (0.33) | ESR1GAAACHEALDH1A1 | |
| SCHEMBL5618308 | 0.78 | ESR1 (0.45) | ESR1GAAACP3TSHRACHE | |
| SCHEMBL13993318 | 0.78 | ESR1 (0.59) | ESR1GAAACP3TSHRACHE | |
| SCHEMBL15388937 | 0.77 | ALDH1A1 (0.35) | TSHRALDH1A1GABRA1GABRB2 | |
| SCHEMBL30507724 | 0.76 | ESR1 (0.56) | ESR1GAAACP3TSHRACHE | |
| SCHEMBL24804430 | 0.76 | ALDH1A1 (0.39) | ESR1TSHRACHEALDH1A1GABRA1 | |
| SCHEMBL9555419 | 0.76 | ALDH1A1 (0.33) | TSHRALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429249-B | Method for synthesizing chiral 4-hydroxy amino acid derivative | 陕西师范大学 | 2023-06-16 | — | — | CN | disclosed |
| WO-2022127712-A1 | METHOD FOR STEREOSPECIFIC SYNTHESIS OF 2-ENAL AND 2-ENONE COMPOUNDS, AND DEUTERATED COMPOUNDS THEREOF | 复旦大学 | 2022-06-23 | — | — | WO | disclosed |
| CN-113429249-A | Method for synthesizing chiral 4-hydroxy amino acid derivative | 陕西师范大学 | 2021-09-24 | — | — | CN | disclosed |
| CN-111233760-B | Synthetic method of 2, 4-diaryl quinoline compound | 浙江工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-111233760-A | Synthetic method of 2, 4-diaryl quinoline compound | 浙江工业大学 | 2020-06-05 | — | — | CN | disclosed |
| CN-100506782-C | 3-(2-alkoxycarbonyloxy-phenyl) acrylic acid esters and their use as precursors for the delivery of olfactory compounds | GIVAUDAN SA (CH) | 2009-07-01 | — | — | CN | disclosed |
| CN-1918108-A | 3-(2-alkoxycarbonyloxy-phenyl) acrylic acid esters and their use as precursors for the delivery of olfactory compounds | GIVAUDAN SA (CH) | 2007-02-21 | — | — | CN | disclosed |
| CN-1289460-C | Aryl-acrylic acid esters | GIVAUDAN ROURE INTERNAT S A (CH) | 2006-12-13 | — | — | CN | disclosed |
| US-5001174-A | Epoxy resin composition for semiconductor sealing employing triphenylmethane based novolac epoxy resin | SUMITOMO BAKELITE COMPANY LIMITED (JP) | 1991-03-19 | — | — | US | disclosed |