Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | SHBG | P04278 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30038814 | 0.92 | HTR2A (0.44) | ABCB1CA2CA1CA4CA6 | |
| SCHEMBL22946219 | 0.84 | PTGS2 (0.55) | HTR1ASIGMAR1ABCB1CA2CYP3A4 | |
| SCHEMBL30949892 | 0.79 | HTR2A (0.59) | HTR1ACYP3A4KDM4EHTR2AHTR2C | |
| SCHEMBL28848582 | 0.79 | TNKS2 (0.45) | SIGMAR1ABCB1CA2CA1CA9 | |
| SCHEMBL17087121 | 0.77 | ACHE (0.50) | HTR1AABCB1CYP3A4MAPTKDM4E | |
| SCHEMBL26684636 | 0.76 | CNR2 (0.45) | ABCB1CA2CA1CA4CA6 | |
| SCHEMBL26684865 | 0.76 | HTR2A (0.43) | ABCB1KDM4EALDH1A1POLBHTR2A | |
| SCHEMBL26684590 | 0.74 | CNR2 (0.46) | ABCB1CA2CA1CA4CA6 | |
| SCHEMBL26684938 | 0.74 | CNR2 (0.43) | ABCB1KDM4EALDH1A1POLBHTR2A | |
| SCHEMBL23943566 | 0.72 | CYP1A2 (0.47) | SIGMAR1MAPTKDM4EALDH1A1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957171-B | Novel five-membered heterocycle substituted styrene derivative and preparation method and application thereof | 广东工业大学 | 2024-07-30 | — | — | CN | claimed |
| WO-2023246836-A1 | NOVEL FIVE-MEMBERED HETEROCYCLE SUBSTITUTED STYRENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 广东工业大学 | 2023-12-28 | — | — | WO | claimed |
| CN-114957171-A | Novel five-membered heterocyclic substituted styrene derivative and preparation method and application thereof | 广东工业大学 | 2022-08-30 | — | — | CN | claimed |
| CN-114957171-B | Novel five-membered heterocycle substituted styrene derivative and preparation method and application thereof | 广东工业大学 | 2024-07-30 | — | — | CN | disclosed |
| WO-2023246836-A1 | NOVEL FIVE-MEMBERED HETEROCYCLE SUBSTITUTED STYRENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 广东工业大学 | 2023-12-28 | — | — | WO | disclosed |
| CN-114957171-A | Novel five-membered heterocyclic substituted styrene derivative and preparation method and application thereof | 广东工业大学 | 2022-08-30 | — | — | CN | disclosed |