Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL18167757 | 0.98 | CYP2A6 (0.65) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| Tetrahydrofuran SCHEMBL29131759 | 0.92 | CYP2A6 (0.52) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL29485684 | 0.82 | CYP2A6 (1.00) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL154221 | 0.82 | CYP2A6 (1.00) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL29002798 | 0.80 | CYP2A6 (0.94) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL1120140 | 0.80 | CYP2A6 (0.94) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL22909955 | 0.80 | CYP2A6 (0.94) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| Benzene SCHEMBL27861653 | 0.80 | CYP2A6 (0.94) | CYP2A6MAPTMEN1KMT2AKDM4E | |
| Anthracene SCHEMBL1255911 | 0.80 | ALDH1A1 (0.44) | CYP2A6MAPTMEN1KMT2AALDH1A1 | |
| Naphthalene SCHEMBL10617947 | 0.80 | ALDH1A1 (0.50) | CYP2A6MEN1KMT2AALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117843427-A | Synthesis method of axisymmetric dinaphthylcyclopentene fused tetraphenyl | 内蒙古大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-104844654-B | A kind of quaternary salt compounds and preparation method thereof | 昆明理工大学 | 2016-11-02 | — | — | CN | disclosed |
| CN-104844654-A | Quaternary phosphonium salt compound and preparation method thereof | UNIV KUNMING SCIENCE & TECHNOLOGY | 2015-08-19 | — | — | CN | disclosed |