Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677922 | 0.91 | HTR2A (0.71) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL24819489 | 0.89 | HTR2A (0.48) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL6566399 | 0.89 | CYP2A6 (0.54) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL11405537 | 0.89 | HTR2A (0.63) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL2049886 | 0.87 | GABRA1 (0.53) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL20713622 | 0.87 | HTR2A (0.47) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL22095510 | 0.87 | HTR2A (0.47) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL13484112 | 0.85 | PTGS1 (0.54) | CYP1A2CYP2A6PTGS1PTGS2LMNA | |
| SCHEMBL21055097 | 0.84 | ALOX15 (0.50) | HTR2AHTR2CHTR2BGABRA1GABRB2 | |
| SCHEMBL23420026 | 0.83 | GABRA1 (0.44) | HTR2AHTR2CHTR2BGABRA1GABRB2 |
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-112661587-A | Process for preparing 2, 6-dialkylnaphthalene | 中国石油化工股份有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-112661587-A | Process for preparing 2, 6-dialkylnaphthalene | 中国石油化工股份有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-105899497-B | Novel bis (hydroxyphenyl) benzoxazole compounds | 本州化学工业株式会社 | 2019-04-09 | — | — | CN | disclosed |