Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.52 |
| ▸ | RET | P07949 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | PRCP | P42785 | 3/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL948086 | 0.84 | ACP3 (0.46) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL9633656 | 0.84 | HTR2A (0.58) | HTR2AHTR2CHRH1 | |
| SCHEMBL14555196 | 0.84 | HTR2A (0.52) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL21311775 | 0.82 | CYP2A6 (0.44) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL16385863 | 0.80 | DRD1 (0.64) | HTR2AHTR2CHTR2BDRD2DRD3 | |
| SCHEMBL2600798 | 0.78 | HTR2A (0.37) | HTR2AHTR2CHTR2BPDPK1PRCP | |
| SCHEMBL20123832 | 0.78 | HTR2C (0.49) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL22193900 | 0.78 | HTR2A (0.39) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL8355428 | 0.78 | HTR2A (0.39) | HTR2ARETHTR2CHTR2BPDPK1 | |
| SCHEMBL19997052 | 0.78 | HTR2A (0.56) | HTR2ARETPDPK1ACP3PRCP |
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 |
|---|---|---|---|---|---|---|---|
| EP-3712128-A1 | PHOTOCHEMICAL INTERMOLECULAR AMINATION METHOD | Fundació Institut Català d'Investigació Química (ICIQ) (ES) | 2020-09-23 | — | — | EP | disclosed |
| EP-3030566-B1 | 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF | JANSSEN BIOPHARMA INC (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019052565-A1 | INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF | 广东东阳光药业有限公司 | 2019-03-21 | — | — | WO | disclosed |
| WO-2017072341-A1 | PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-05-04 | — | — | WO | disclosed |
| EP-0485431-B1 | PARTIAL AGONISTS OF THE STRYCHNINE INSENSITIVE GLYCINE MODULATORY SITE OF THE N-METHYL-D-ASPARTATE RECEPTOR COMPLEX AS NEUROPSYCHOPHARMACOLOGICAL AGENTS | US HEALTH (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1991001729-A1 | PARTIAL AGONISTS OF THE STRYCHNINE INSENSITIVE GLYCINE MODULATORY SITE OF THE N-METHYL-D-ASPARTATE RECEPTOR COMPLEX AS NEUROPSYCHOPHARMACOLOGICAL AGENTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) | 1991-02-21 | — | — | WO | disclosed |