Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | MELK | Q14680 | 3/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL21715143 | 0.85 | APP (0.41) | FYNKCNH2NQO1 | |
| SCHEMBL21715141 | 0.84 | FYN (0.37) | FYNSLC6A2SLC6A4SLC6A3MELK | |
| SCHEMBL21715140 | 0.83 | SLC6A2 (0.37) | FYNSLC6A2SLC6A4SLC6A3HTR3A | |
| SCHEMBL13170580 | 0.77 | APP (0.48) | KCNH2NQO1 | |
| SCHEMBL12454839 | 0.76 | NQO1 (0.52) | KDM4EMAPK1TDP1CYP1A2NQO1 | |
| SCHEMBL29936898 | 0.76 | CYP1A2 (0.59) | AGXTKDM4EMAPK1TDP1CYP1A2 | |
| SCHEMBL1961527 | 0.76 | CYP1A2 (0.59) | AGXTKDM4EMAPK1TDP1CYP1A2 | |
| SCHEMBL12171493 | 0.74 | CYP2A6 (0.52) | AGXTKDM4EMAPK1TDP1CYP1A2 | |
| SCHEMBL3589633 | 0.74 | NQO1 (0.50) | FYNKDM4ETDP1NQO1KDR | |
| SCHEMBL23832437 | 0.73 | CYP2A6 (0.43) | SLC6A2SLC6A4AGXTKDM4EMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11247905-B2 | Synthesis of graphene nanoribbons from monomeric molecular precursors bearing reactive alkyne moieties | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-02-15 | — | — | US | disclosed |
| US-20200055735-A1 | SYNTHESIS OF GRAPHENE NANORIBBONS FROM MONOMERIC MOLECULAR PRECURSORS BEARING REACTIVE ALKYNE MOIETIES | UNIV CALIFORNIA (US) | 2020-02-20 | — | — | US | disclosed |