Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 3/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28827360 | 0.96 | HTR1B (0.36) | HTR1BHTR1DCNR1CNR2KMT2A | |
| SCHEMBL28827376 | 0.94 | HTR1B (0.43) | HTR1BHTR1DCNR1CNR2KMT2A | |
| Anthracene SCHEMBL28827369 | 0.94 | HTR1B (0.43) | HTR1BHTR1DCNR1CNR2KMT2A | |
| SCHEMBL3414896 | 0.84 | CA2 (0.44) | HTR1BHTR1DKMT2AKDM4EMEN1 | |
| Anthracene SCHEMBL28584681 | 0.84 | CA2 (0.44) | HTR1BHTR1DKMT2AKDM4EMEN1 | |
| SCHEMBL18837359 | 0.82 | HTR1B (0.52) | HTR1BHTR1DKMT2AKDM4EMEN1 | |
| SCHEMBL17912877 | 0.78 | KCNA3 (0.53) | HTR1BHTR1DCNR1CNR2KMT2A | |
| SCHEMBL17912798 | 0.78 | KCNA3 (0.53) | HTR1BHTR1DCNR1CNR2KMT2A | |
| SCHEMBL20678360 | 0.78 | KCNA3 (0.53) | HTR1BHTR1DCNR1CNR2KMT2A | |
| SCHEMBL585194 | 0.78 | KCNA3 (0.53) | HTR1BHTR1DCNR1CNR2KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957237-B | Alkyl-modified vat orange 3-centered core D (A-Ar) 2 Synthesis and application of small organic molecules | 东华理工大学 | 2024-02-02 | — | — | CN | disclosed |